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Chemical Name
Cas Number
EINECS Number
MDL Number
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Smiles
Journal Title
GO
Chemistry Letters - 1839 compounds - page 17
3-(2-thienylcarbonyl)benzaldehyde
Molecular Formula:
C
12
H
8
O
2
S
Molecular Weight:
216.26 g/mol
Cas Number:
-
EINECS Number:
-
2-methyl-1,4-diphenyl-1,4-butanedione
Molecular Formula:
C
17
H
16
O
2
Molecular Weight:
252.313 g/mol
Cas Number:
-
EINECS Number:
-
2-methyl-1-phenyl-4-penten-1-one
Molecular Formula:
C
12
H
14
O
Molecular Weight:
174.243 g/mol
Cas Number:
-
EINECS Number:
-
2-methyl-4,4-bis(methylsulfanyl)-1-phenyl-3-buten-1-one
Molecular Formula:
C
13
H
16
OS
2
Molecular Weight:
252.401 g/mol
Cas Number:
-
EINECS Number:
-
3-fluorobenzonitrile
Molecular Formula:
C
7
H
4
FN
Molecular Weight:
121.114 g/mol
Cas Number:
403-54-3
EINECS Number:
206-963-5
6-tetrahydro-pyran-2-yloxy-hexan-2-one
Molecular Formula:
C
11
H
20
O
3
Molecular Weight:
200.278 g/mol
Cas Number:
-
EINECS Number:
-
5-oxohexyl acetate
Molecular Formula:
C
8
H
14
O
3
Molecular Weight:
158.197 g/mol
Cas Number:
4305-26-4
EINECS Number:
-
2-decanone
Molecular Formula:
C
10
H
20
O
Molecular Weight:
156.268 g/mol
Cas Number:
693-54-9
EINECS Number:
211-752-6
4-chlorobutyl benzoate
Molecular Formula:
C
11
H
13
ClO
2
Molecular Weight:
212.676 g/mol
Cas Number:
946-02-1
EINECS Number:
-
2,2-dimethyl-5-phenylfuran-3-one
Molecular Formula:
C
12
H
12
O
2
Molecular Weight:
188.226 g/mol
Cas Number:
493-71-0
EINECS Number:
-
6,6-dimethyl-2-(4-methylphenyl)-6,7-dihydro-1-benzofuran-4(5H)-one
Molecular Formula:
C
17
H
18
O
2
Molecular Weight:
254.329 g/mol
Cas Number:
-
EINECS Number:
-
(3E,5E)-3,5-dodecadien-2-one
Molecular Formula:
C
12
H
20
O
Molecular Weight:
180.29 g/mol
Cas Number:
-
EINECS Number:
-
(3E)-4-(4-chlorophenyl)-3-buten-2-one
Molecular Formula:
C
10
H
9
ClO
Molecular Weight:
180.634 g/mol
Cas Number:
3160-40-5
EINECS Number:
221-610-5
3-iodo-2-hexanone
Molecular Formula:
C
6
H
11
IO
Molecular Weight:
226.057 g/mol
Cas Number:
-
EINECS Number:
-
(3E)-1-(2,6-dichlorophenyl)-5-(methoxymethyl)-3,5-hexadien-1-ol
Molecular Formula:
C
14
H
16
Cl
2
O
2
Molecular Weight:
287.185 g/mol
Cas Number:
-
EINECS Number:
-
isopropoxy-methyl-benzene
Molecular Formula:
C
10
H
14
O
Molecular Weight:
150.221 g/mol
Cas Number:
937-54-2
EINECS Number:
-
tert-butoxy-methyl-benzene
Molecular Formula:
C
11
H
16
O
Molecular Weight:
164.247 g/mol
Cas Number:
-
EINECS Number:
-
methyl 4-(3-phenyl-4,5-dihydro-5-isoxazolyl)phenyl ether
Molecular Formula:
C
16
H
15
NO
2
Molecular Weight:
253.301 g/mol
Cas Number:
-
EINECS Number:
-
diethyl 2-allylmalonate
Molecular Formula:
C
10
H
16
O
4
Molecular Weight:
200.235 g/mol
Cas Number:
2049-80-1
EINECS Number:
218-072-9
1,2-diphenyl-4-penten-1-one
Molecular Formula:
C
17
H
16
O
Molecular Weight:
236.313 g/mol
Cas Number:
-
EINECS Number:
-
5-methyl-3-tosyl-hex-5-en-2-one
Molecular Formula:
C
14
H
18
O
3
S
Molecular Weight:
266.361 g/mol
Cas Number:
-
EINECS Number:
-
(4Z)-2-ethoxy-4-heptylidenetetrahydrofuran
Molecular Formula:
C
13
H
24
O
2
Molecular Weight:
212.332 g/mol
Cas Number:
-
EINECS Number:
-
2,4-dichloro-1-methylsulfonylbenzene
Molecular Formula:
C
7
H
6
Cl
2
O
2
S
Molecular Weight:
225.095 g/mol
Cas Number:
85901-48-0
EINECS Number:
-
N,N-dimethyl-N-phenylamine
Molecular Formula:
C
8
H
11
N
Molecular Weight:
121.182 g/mol
Cas Number:
121-69-7
EINECS Number:
204-493-5
2,2-dimethyl-1-phenyl-3-buten-1-ol
Molecular Formula:
C
12
H
16
O
Molecular Weight:
176.258 g/mol
Cas Number:
-
EINECS Number:
-
dimethyl 2-(3-oxo-3-phenylpropyl)malonate
Molecular Formula:
C
14
H
16
O
5
Molecular Weight:
264.278 g/mol
Cas Number:
-
EINECS Number:
-
methyl 3-(2-oxocyclohexyl)propanoate
Molecular Formula:
C
10
H
16
O
3
Molecular Weight:
184.235 g/mol
Cas Number:
10407-33-7
EINECS Number:
-
ethyl 3-hydroxyhexanoate
Molecular Formula:
C
8
H
16
O
3
Molecular Weight:
160.213 g/mol
Cas Number:
2305-25-1
EINECS Number:
218-973-7
5-methyl-1H-1,2,3-benzotriazole
Molecular Formula:
C
7
H
7
N
3
Molecular Weight:
133.153 g/mol
Cas Number:
136-85-6
EINECS Number:
205-265-8
2-but-3-enyl-propanedioic acid dimethyl ester
Molecular Formula:
C
9
H
14
O
4
Molecular Weight:
186.208 g/mol
Cas Number:
-
EINECS Number:
-
4-propanoyloxy-butyric acid methyl ester
Molecular Formula:
C
8
H
14
O
4
Molecular Weight:
174.197 g/mol
Cas Number:
-
EINECS Number:
-
5-(4-methoxyphenyl)-3-(4-methylphenyl)-4,5-dihydroisoxazole
Molecular Formula:
C
17
H
17
NO
2
Molecular Weight:
267.328 g/mol
Cas Number:
-
EINECS Number:
-
1-ethylsulfonyl-4-methylbenzene
Molecular Formula:
C
9
H
12
O
2
S
Molecular Weight:
184.259 g/mol
Cas Number:
7569-34-8
EINECS Number:
-
4,4,5,5-tetramethyl-2-hexanone
Molecular Formula:
C
10
H
20
O
Molecular Weight:
156.268 g/mol
Cas Number:
-
EINECS Number:
-
4,4-dimethyl-5-hexen-2-one
Molecular Formula:
C
8
H
14
O
Molecular Weight:
126.199 g/mol
Cas Number:
-
EINECS Number:
-
2-hexanone
Molecular Formula:
C
6
H
12
O
Molecular Weight:
100.161 g/mol
Cas Number:
591-78-6
EINECS Number:
209-731-1
1-iodo-4-methoxybenzene
Molecular Formula:
C
7
H
7
IO
Molecular Weight:
234.036 g/mol
Cas Number:
696-62-8
EINECS Number:
211-798-7
[(2E)-1-methylene-2,5-hexadienyl]benzene
Molecular Formula:
C
13
H
14
Molecular Weight:
170.254 g/mol
Cas Number:
-
EINECS Number:
-
5,5-dimethyl-3-styryl-cyclohex-2-en-1-one
Molecular Formula:
C
16
H
18
O
Molecular Weight:
226.318 g/mol
Cas Number:
-
EINECS Number:
-
5-fluoro-4-hexyl-2-methyl-6-(trifluoromethyl)pyrimidine
Molecular Formula:
C
12
H
16
F
4
N
2
Molecular Weight:
264.266 g/mol
Cas Number:
-
EINECS Number:
-
(3-phenoxyphenyl)methanol
Molecular Formula:
C
13
H
12
O
2
Molecular Weight:
200.237 g/mol
Cas Number:
13826-35-2
EINECS Number:
237-525-1
2-phenyl-1-indanone
Molecular Formula:
C
15
H
12
O
Molecular Weight:
208.26 g/mol
Cas Number:
16619-12-8
EINECS Number:
-
methyl 3-(2-furyl)-5-oxohexanedithioate
Molecular Formula:
C
11
H
14
O
2
S
2
Molecular Weight:
242.363 g/mol
Cas Number:
-
EINECS Number:
-
methyl 5-oxo-3-phenylhexanedithioate
Molecular Formula:
C
13
H
16
OS
2
Molecular Weight:
252.401 g/mol
Cas Number:
-
EINECS Number:
-
2-methoxy-3-(methoxy-phenylmethyl)oxane
Molecular Formula:
C
14
H
20
O
3
Molecular Weight:
236.311 g/mol
Cas Number:
-
EINECS Number:
-
(1-chloro-3-methoxy-5-phenylpentyl)benzene
Molecular Formula:
C
18
H
21
ClO
Molecular Weight:
288.817 g/mol
Cas Number:
-
EINECS Number:
-
2-methoxy-3-(1-methoxy-3-phenylpropyl)tetrahydro-2H-pyran
Molecular Formula:
C
16
H
24
O
3
Molecular Weight:
264.365 g/mol
Cas Number:
-
EINECS Number:
-
9,9-diethoxy-2,6-nonanedione
Molecular Formula:
C
13
H
24
O
4
Molecular Weight:
244.331 g/mol
Cas Number:
-
EINECS Number:
-
2,6-heptadecanedione
Molecular Formula:
C
17
H
32
O
2
Molecular Weight:
268.44 g/mol
Cas Number:
-
EINECS Number:
-
2-decyl-3-methyl-2-cyclohexen-1-one
Molecular Formula:
C
17
H
30
O
Molecular Weight:
250.425 g/mol
Cas Number:
-
EINECS Number:
-
3-hydroxybenzaldehyde
Molecular Formula:
C
7
H
6
O
2
Molecular Weight:
122.123 g/mol
Cas Number:
100-83-4
EINECS Number:
202-892-9
1-phenyl-1-nonanone
Molecular Formula:
C
15
H
22
O
Molecular Weight:
218.339 g/mol
Cas Number:
6008-36-2
EINECS Number:
227-861-7
ethyl 5-oxo-5-phenylpentanoate
Molecular Formula:
C
13
H
16
O
3
Molecular Weight:
220.268 g/mol
Cas Number:
73172-56-2
EINECS Number:
-
methyl 2-morpholin-4-yl-2-sulfanylideneacetate
Molecular Formula:
C
7
H
11
NO
3
S
Molecular Weight:
189.235 g/mol
Cas Number:
-
EINECS Number:
-
2-methyl-4-phenanthryl acetate
Molecular Formula:
C
17
H
14
O
2
Molecular Weight:
250.297 g/mol
Cas Number:
-
EINECS Number:
-
4-phenanthryl acetate
Molecular Formula:
C
16
H
12
O
2
Molecular Weight:
236.27 g/mol
Cas Number:
-
EINECS Number:
-
3-methyl-1-phenanthryl acetate
Molecular Formula:
C
17
H
14
O
2
Molecular Weight:
250.297 g/mol
Cas Number:
-
EINECS Number:
-
(1E)-2-benzyl-3-methyl-3-butenal dimethylhydrazone
Molecular Formula:
C
14
H
20
N
2
Molecular Weight:
216.326 g/mol
Cas Number:
-
EINECS Number:
-
methyl 4-(1,3-dithiolan-2-ylidene)-3-methylpentanoate
Molecular Formula:
C
10
H
16
O
2
S
2
Molecular Weight:
232.368 g/mol
Cas Number:
-
EINECS Number:
-
6-oxoheptanal
Molecular Formula:
C
7
H
12
O
2
Molecular Weight:
128.171 g/mol
Cas Number:
-
EINECS Number:
-
6-oxoheptanoic acid
Molecular Formula:
C
7
H
12
O
3
Molecular Weight:
144.17 g/mol
Cas Number:
3128-07-2
EINECS Number:
221-512-2
3-methyl-2-phenylsulfanylcycloheptan-1-one
Molecular Formula:
C
14
H
18
OS
Molecular Weight:
234.362 g/mol
Cas Number:
-
EINECS Number:
-
2-ethyl-2-(ethylsulfanyl-methyl)-butane-1-thiol
Molecular Formula:
C
9
H
20
S
2
Molecular Weight:
192.39 g/mol
Cas Number:
-
EINECS Number:
-
4,4-dimethyl-2-phenyl-4,5-dihydro-1,3-oxazole
Molecular Formula:
C
11
H
13
NO
Molecular Weight:
175.23 g/mol
Cas Number:
19312-06-2
EINECS Number:
-
4-fluorobenzaldehyde
Molecular Formula:
C
7
H
5
FO
Molecular Weight:
124.115 g/mol
Cas Number:
459-57-4
EINECS Number:
207-293-6
3-butyl-5-fluoro-uracil
Molecular Formula:
C
8
H
11
FN
2
O
2
Molecular Weight:
186.186 g/mol
Cas Number:
-
EINECS Number:
-
3-benzyl-1-phenylsulfanylurea
Molecular Formula:
C
14
H
14
N
2
OS
Molecular Weight:
258.344 g/mol
Cas Number:
-
EINECS Number:
-
cyclohexyl phenylsulfanylcarbamate
Molecular Formula:
C
13
H
17
NO
2
S
Molecular Weight:
251.35 g/mol
Cas Number:
-
EINECS Number:
-
[(3E)-5,5-difluoro-3-heptenyl]benzene
Molecular Formula:
C
13
H
16
F
2
Molecular Weight:
210.267 g/mol
Cas Number:
-
EINECS Number:
-
[(5E)-4,4-difluoro-5-heptenyl]benzene
Molecular Formula:
C
13
H
16
F
2
Molecular Weight:
210.267 g/mol
Cas Number:
-
EINECS Number:
-
(2E)-4-(phenylsulfanyl)-2-buten-1-ol
Molecular Formula:
C
10
H
12
OS
Molecular Weight:
180.271 g/mol
Cas Number:
20614-50-0
EINECS Number:
-
(8E)-8-icosen-10-ol
Molecular Formula:
C
20
H
40
O
Molecular Weight:
296.537 g/mol
Cas Number:
-
EINECS Number:
-
(E)-2-(2,6,6-trimethyl-1-cyclohexen-1-yl)ethenyl acetate
Molecular Formula:
C
13
H
20
O
2
Molecular Weight:
208.301 g/mol
Cas Number:
-
EINECS Number:
-
S-ethyl (4E)-3-azido-2-methyl-5-phenyl-4-pentenethioate
Molecular Formula:
C
14
H
17
N
3
OS
Molecular Weight:
275.375 g/mol
Cas Number:
-
EINECS Number:
-
2-(1-phenyl-3-butenyl)malononitrile
Molecular Formula:
C
13
H
12
N
2
Molecular Weight:
196.252 g/mol
Cas Number:
-
EINECS Number:
-
2-allyl-2-cyclohexylmalononitrile
Molecular Formula:
C
12
H
16
N
2
Molecular Weight:
188.273 g/mol
Cas Number:
-
EINECS Number:
-
2-(4-methoxyphenyl)propanenitrile
Molecular Formula:
C
10
H
11
NO
Molecular Weight:
161.203 g/mol
Cas Number:
-
EINECS Number:
-
2-(dimethoxyphosphorylsulfanylmethyl)-2-ethylbutane-1-thiol
Molecular Formula:
C
9
H
21
O
3
PS
2
Molecular Weight:
272.37 g/mol
Cas Number:
-
EINECS Number:
-
2-methyl-3-phenyl-1-benzothiophene
Molecular Formula:
C
15
H
12
S
Molecular Weight:
224.326 g/mol
Cas Number:
-
EINECS Number:
-
5-phenyl-1,3-oxathiole-2-thione
Molecular Formula:
C
9
H
6
OS
2
Molecular Weight:
194.278 g/mol
Cas Number:
-
EINECS Number:
-
ethyl (2-allyltetrahydro-2H-pyran-2-yl)acetate
Molecular Formula:
C
12
H
20
O
3
Molecular Weight:
212.289 g/mol
Cas Number:
-
EINECS Number:
-
ethyl tetrahydro-2H-pyran-2-ylacetate
Molecular Formula:
C
9
H
16
O
3
Molecular Weight:
172.224 g/mol
Cas Number:
-
EINECS Number:
-
4-bromobutyl diethylcarbamate
Molecular Formula:
C
9
H
18
BrNO
2
Molecular Weight:
252.151 g/mol
Cas Number:
-
EINECS Number:
-
4-allylbenzonitrile
Molecular Formula:
C
10
H
9
N
Molecular Weight:
143.188 g/mol
Cas Number:
51980-05-3
EINECS Number:
-
(1E,3E,5Z)-2-benzyl-3,5-heptadienal dimethylhydrazone
Molecular Formula:
C
16
H
22
N
2
Molecular Weight:
242.364 g/mol
Cas Number:
-
EINECS Number:
-
(1E,3E)-2-sec-butyl-3,5-hexadienal dimethylhydrazone
Molecular Formula:
C
12
H
22
N
2
Molecular Weight:
194.32 g/mol
Cas Number:
-
EINECS Number:
-
1-methyl-4-nitrobenzene
Molecular Formula:
C
7
H
7
NO
2
Molecular Weight:
137.138 g/mol
Cas Number:
99-99-0
EINECS Number:
202-808-0
1-ethyl-4-nitrobenzene
Molecular Formula:
C
8
H
9
NO
2
Molecular Weight:
151.165 g/mol
Cas Number:
100-12-9
EINECS Number:
202-821-1
1-bromo-2-fluorocyclohexane
Molecular Formula:
C
6
H
10
BrF
Molecular Weight:
181.048 g/mol
Cas Number:
656-57-5
EINECS Number:
-
2-methylthiacycloheptadecan-6-one
Molecular Formula:
C
17
H
32
OS
Molecular Weight:
284.506 g/mol
Cas Number:
-
EINECS Number:
-
ethyl 2-ethenylidene-3-hydroxypentanoate
Molecular Formula:
C
9
H
14
O
3
Molecular Weight:
170.208 g/mol
Cas Number:
-
EINECS Number:
-
2-naphthoic acid
Molecular Formula:
C
11
H
8
O
2
Molecular Weight:
172.183 g/mol
Cas Number:
93-09-4
EINECS Number:
202-217-8
2-[(methoxycarbonylamino)-methyl]-acrylic acid methyl ester
Molecular Formula:
C
7
H
11
NO
4
Molecular Weight:
173.169 g/mol
Cas Number:
-
EINECS Number:
-
1,4-Diphenylbutadiene
Molecular Formula:
C
16
H
14
Molecular Weight:
206.287 g/mol
Cas Number:
886-65-7
EINECS Number:
212-952-6
[(3E)-hepta-3,6-dienoxy]-methyl-benzene
Molecular Formula:
C
14
H
18
O
Molecular Weight:
202.296 g/mol
Cas Number:
-
EINECS Number:
-
(7E,9E)-7,9-hexadecadiene
Molecular Formula:
C
16
H
30
Molecular Weight:
222.414 g/mol
Cas Number:
-
EINECS Number:
-
(1E)-1,4-pentadienylbenzene
Molecular Formula:
C
11
H
12
Molecular Weight:
144.216 g/mol
Cas Number:
33558-12-2
EINECS Number:
-
allyl 2-pentylacrylate
Molecular Formula:
C
11
H
18
O
2
Molecular Weight:
182.263 g/mol
Cas Number:
-
EINECS Number:
-
3-methylene-1-phenyl-2-pyrrolidinone
Molecular Formula:
C
11
H
11
NO
Molecular Weight:
173.214 g/mol
Cas Number:
70259-90-4
EINECS Number:
-
2-butylacrylonitrile
Molecular Formula:
C
7
H
11
N
Molecular Weight:
109.171 g/mol
Cas Number:
-
EINECS Number:
-
1
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