Product OPENEYE NAME: ethyl dodecanoate
CAS Name: dodecanoic acid ethyl ester
IUPAC NAME: ethyl dodecanoate
SYSTEMATIC NAME: ethyl dodecanoate
MOLECULAR FORMULA: C14H28O2
MOLECULAR WEIGHT: 228.37092
SMILES: CCCCCCCCCCCC(=O)OCC
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Product OPENEYE NAME: benzene-1,4-diol; 1,4-benzoquinone
CAS Name: benzene-1,4-diol; cyclohexa-2,5-diene-1,4-dione
IUPAC NAME: benzene-1,4-diol; cyclohexa-2,5-diene-1,4-dione
SYSTEMATIC NAME: benzene-1,4-diol; cyclohexa-2,5-diene-1,4-dione
MOLECULAR FORMULA: C12H10O4
MOLECULAR WEIGHT: 218.2054
SMILES: C1=CC(=O)C=CC1=O.C1=CC(=CC=C1O)O
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Product OPENEYE NAME: heptan-3-one
CAS Name: 3-heptanone
IUPAC NAME: heptan-3-one
SYSTEMATIC NAME: heptan-3-one
MOLECULAR FORMULA: C7H14O
MOLECULAR WEIGHT: 114.18546
SMILES: CCCCC(=O)CC
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Product OPENEYE NAME: propyl propanoate
CAS Name: propanoic acid propyl ester
IUPAC NAME: propyl propanoate
SYSTEMATIC NAME: propyl propanoate
MOLECULAR FORMULA: C6H12O2
MOLECULAR WEIGHT: 116.15828
SMILES: CCCOC(=O)CC
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Product OPENEYE NAME: 1,4-dibromobenzene
CAS Name: 1,4-dibromobenzene
IUPAC NAME: 1,4-dibromobenzene
SYSTEMATIC NAME: 1,4-bis(bromanyl)benzene
MOLECULAR FORMULA: C6H4Br2
MOLECULAR WEIGHT: 235.90396
SMILES: C1=CC(=CC=C1Br)Br
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Product OPENEYE NAME: 1-bromo-4-methyl-benzene
CAS Name: 1-bromo-4-methylbenzene
IUPAC NAME: 1-bromo-4-methylbenzene
SYSTEMATIC NAME: 1-bromanyl-4-methyl-benzene
MOLECULAR FORMULA: C7H7Br
MOLECULAR WEIGHT: 171.03448
SMILES: CC1=CC=C(C=C1)Br
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Product OPENEYE NAME: 1-bromo-4-chloro-benzene
CAS Name: 1-bromo-4-chlorobenzene
IUPAC NAME: 1-bromo-4-chlorobenzene
SYSTEMATIC NAME: 1-bromanyl-4-chloranyl-benzene
MOLECULAR FORMULA: C6H4BrCl
MOLECULAR WEIGHT: 191.45296
SMILES: C1=CC(=CC=C1Cl)Br
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Product OPENEYE NAME: 4-bromoaniline
CAS Name: 4-bromoaniline
IUPAC NAME: 4-bromoaniline
SYSTEMATIC NAME: 4-bromanylaniline
MOLECULAR FORMULA: C6H6BrN
MOLECULAR WEIGHT: 172.02254
SMILES: C1=CC(=CC=C1N)Br
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Product OPENEYE NAME: 4-bromophenol
CAS Name: 4-bromophenol
IUPAC NAME: 4-bromophenol
SYSTEMATIC NAME: 4-bromanylphenol
MOLECULAR FORMULA: C6H5BrO
MOLECULAR WEIGHT: 173.0073
SMILES: C1=CC(=CC=C1O)Br
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Product OPENEYE NAME: p-xylene
CAS Name: 1,4-xylene
IUPAC NAME: 1,4-xylene
SYSTEMATIC NAME: 1,4-dimethylbenzene
MOLECULAR FORMULA: C8H10
MOLECULAR WEIGHT: 106.165
SMILES: CC1=CC=C(C=C1)C
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Product OPENEYE NAME: 1-chloro-4-methyl-benzene
CAS Name: 1-chloro-4-methylbenzene
IUPAC NAME: 1-chloro-4-methylbenzene
SYSTEMATIC NAME: 1-chloranyl-4-methyl-benzene
MOLECULAR FORMULA: C7H7Cl
MOLECULAR WEIGHT: 126.58348
SMILES: CC1=CC=C(C=C1)Cl
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Product OPENEYE NAME: 4-methylbenzenethiol
CAS Name: 4-methylbenzenethiol
IUPAC NAME: 4-methylbenzenethiol
SYSTEMATIC NAME: 4-methylbenzenethiol
MOLECULAR FORMULA: C7H8S
MOLECULAR WEIGHT: 124.20342
SMILES: CC1=CC=C(C=C1)S
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Product OPENEYE NAME: 4-chloroaniline
CAS Name: 4-chloroaniline
IUPAC NAME: 4-chloroaniline
SYSTEMATIC NAME: 4-chloranylaniline
MOLECULAR FORMULA: C6H6ClN
MOLECULAR WEIGHT: 127.57154
SMILES: C1=CC(=CC=C1N)Cl
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Product OPENEYE NAME: 4-methylaniline
CAS Name: 4-methylaniline
IUPAC NAME: 4-methylaniline
SYSTEMATIC NAME: 4-methylaniline
MOLECULAR FORMULA: C7H9N
MOLECULAR WEIGHT: 107.15306
SMILES: CC1=CC=C(C=C1)N
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Product OPENEYE NAME: benzene-1,4-diamine
CAS Name: benzene-1,4-diamine
IUPAC NAME: benzene-1,4-diamine
SYSTEMATIC NAME: benzene-1,4-diamine
MOLECULAR FORMULA: C6H8N2
MOLECULAR WEIGHT: 108.14112
SMILES: C1=CC(=CC=C1N)N
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Product OPENEYE NAME: 4-chlorobenzenethiol
CAS Name: 4-chlorobenzenethiol
IUPAC NAME: 4-chlorobenzenethiol
SYSTEMATIC NAME: 4-chloranylbenzenethiol
MOLECULAR FORMULA: C6H5ClS
MOLECULAR WEIGHT: 144.6219
SMILES: C1=CC(=CC=C1S)Cl
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