Product OPENEYE NAME: 1,3-dimethylcyclohexane
CAS Name: 1,3-dimethylcyclohexane
IUPAC NAME: 1,3-dimethylcyclohexane
SYSTEMATIC NAME: 1,3-dimethylcyclohexane
MOLECULAR FORMULA: C8H16
MOLECULAR WEIGHT: 112.21264
SMILES: CC1CCCC(C1)C
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Product OPENEYE NAME: 3,5-dimethylpyridine
CAS Name: 3,5-dimethylpyridine
IUPAC NAME: 3,5-dimethylpyridine
SYSTEMATIC NAME: 3,5-dimethylpyridine
MOLECULAR FORMULA: C7H9N
MOLECULAR WEIGHT: 107.15306
SMILES: CC1=CC(=CN=C1)C
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Product OPENEYE NAME: 3-methylcyclohexanol
CAS Name: 3-methyl-1-cyclohexanol
IUPAC NAME: 3-methylcyclohexan-1-ol
SYSTEMATIC NAME: 3-methylcyclohexan-1-ol
MOLECULAR FORMULA: C7H14O
MOLECULAR WEIGHT: 114.18546
SMILES: CC1CCCC(C1)O
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Product OPENEYE NAME: 3-methylcyclohexanone
CAS Name: 3-methyl-1-cyclohexanone
IUPAC NAME: 3-methylcyclohexan-1-one
SYSTEMATIC NAME: 3-methylcyclohexan-1-one
MOLECULAR FORMULA: C7H12O
MOLECULAR WEIGHT: 112.16958
SMILES: CC1CCCC(=O)C1
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Product OPENEYE NAME: 3-aminophenol
CAS Name: 3-aminophenol
IUPAC NAME: 3-aminophenol
SYSTEMATIC NAME: 3-azanylphenol
MOLECULAR FORMULA: C6H7NO
MOLECULAR WEIGHT: 109.12588
SMILES: C1=CC(=CC(=C1)O)N
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Product OPENEYE NAME: 3-methoxybenzaldehyde
CAS Name: 3-methoxybenzaldehyde
IUPAC NAME: 3-methoxybenzaldehyde
SYSTEMATIC NAME: 3-methoxybenzaldehyde
MOLECULAR FORMULA: C8H8O2
MOLECULAR WEIGHT: 136.14792
SMILES: COC1=CC=CC(=C1)C=O
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Product OPENEYE NAME: N-(3-ethoxyphenyl)acetamide
CAS Name: N-(3-ethoxyphenyl)acetamide
IUPAC NAME: N-(3-ethoxyphenyl)acetamide
SYSTEMATIC NAME: N-(3-ethoxyphenyl)ethanamide
MOLECULAR FORMULA: C10H13NO2
MOLECULAR WEIGHT: 179.21572
SMILES: CCOC1=CC=CC(=C1)NC(=O)C
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Product OPENEYE NAME: 3,5-dichlorophenol
CAS Name: 3,5-dichlorophenol
IUPAC NAME: 3,5-dichlorophenol
SYSTEMATIC NAME: 3,5-bis(chloranyl)phenol
MOLECULAR FORMULA: C6H4Cl2O
MOLECULAR WEIGHT: 163.00136
SMILES: C1=C(C=C(C=C1Cl)Cl)O
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Product OPENEYE NAME: 4-methylcyclohexene
CAS Name: 4-methylcyclohexene
IUPAC NAME: 4-methylcyclohexene
SYSTEMATIC NAME: 4-methylcyclohexene
MOLECULAR FORMULA: C7H12
MOLECULAR WEIGHT: 96.17018
SMILES: CC1CCC=CC1
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Product OPENEYE NAME: 3-methylcyclohexene
CAS Name: 3-methylcyclohexene
IUPAC NAME: 3-methylcyclohexene
SYSTEMATIC NAME: 3-methylcyclohexene
MOLECULAR FORMULA: C7H12
MOLECULAR WEIGHT: 96.17018
SMILES: CC1CCCC=C1
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Product OPENEYE NAME: 1-methylcyclohexene
CAS Name: 1-methylcyclohexene
IUPAC NAME: 1-methylcyclohexene
SYSTEMATIC NAME: 1-methylcyclohexene
MOLECULAR FORMULA: C7H12
MOLECULAR WEIGHT: 96.17018
SMILES: CC1=CCCCC1
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Product OPENEYE NAME: iodobenzene
CAS Name: iodobenzene
IUPAC NAME: iodobenzene
SYSTEMATIC NAME: iodanylbenzene
MOLECULAR FORMULA: C6H5I
MOLECULAR WEIGHT: 204.00837
SMILES: C1=CC=C(C=C1)I
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Product OPENEYE NAME: butyl 3-oxobutanoate
CAS Name: 3-oxobutanoic acid butyl ester
IUPAC NAME: butyl 3-oxobutanoate
SYSTEMATIC NAME: butyl 3-oxidanylidenebutanoate
MOLECULAR FORMULA: C8H14O3
MOLECULAR WEIGHT: 158.19496
SMILES: CCCCOC(=O)CC(=O)C
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Product OPENEYE NAME: ethyl N-butylcarbamate
CAS Name: N-butylcarbamic acid ethyl ester
IUPAC NAME: ethyl N-butylcarbamate
SYSTEMATIC NAME: ethyl N-butylcarbamate
MOLECULAR FORMULA: C7H15NO2
MOLECULAR WEIGHT: 145.1995
SMILES: CCCCNC(=O)OCC
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Product OPENEYE NAME: calcium 4-oxopentanoate
CAS Name: calcium 4-oxopentanoate
IUPAC NAME: calcium 4-oxopentanoate
SYSTEMATIC NAME: calcium 4-oxidanylidenepentanoate
MOLECULAR FORMULA: C10H14CaO6
MOLECULAR WEIGHT: 270.29256
SMILES: CC(=O)CCC(=O)[O-].CC(=O)CCC(=O)[O-].[Ca+2]
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Product OPENEYE NAME: 4-oxopentanoic acid
CAS Name: 4-oxopentanoic acid
IUPAC NAME: 4-oxopentanoic acid
SYSTEMATIC NAME: 4-oxidanylidenepentanoic acid
MOLECULAR FORMULA: C5H8O3
MOLECULAR WEIGHT: 116.11522
SMILES: CC(=O)CCC(=O)O
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Product OPENEYE NAME: 2-fluoroethyl 6-fluorohexanoate
CAS Name: 6-fluorohexanoic acid 2-fluoroethyl ester
IUPAC NAME: 2-fluoroethyl 6-fluorohexanoate
SYSTEMATIC NAME: 2-fluoranylethyl 6-fluoranylhexanoate
MOLECULAR FORMULA: C8H14F2O2
MOLECULAR WEIGHT: 180.192366
SMILES: C(CCC(=O)OCCF)CCF
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