Product OPENEYE NAME: isobutyl propanoate
CAS Name: propanoic acid 2-methylpropyl ester
IUPAC NAME: 2-methylpropyl propanoate
SYSTEMATIC NAME: 2-methylpropyl propanoate
MOLECULAR FORMULA: C7H14O2
MOLECULAR WEIGHT: 130.18486
SMILES: CCC(=O)OCC(C)C
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Product OPENEYE NAME: N-methylheptan-2-amine
CAS Name: N-methyl-2-heptanamine
IUPAC NAME: N-methylheptan-2-amine
SYSTEMATIC NAME: N-methylheptan-2-amine
MOLECULAR FORMULA: C8H19N
MOLECULAR WEIGHT: 129.24316
SMILES: CCCCCC(C)NC
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Product OPENEYE NAME: 1,2-dibromoethylene
CAS Name: 1,2-dibromoethene
IUPAC NAME: 1,2-dibromoethene
SYSTEMATIC NAME: 1,2-bis(bromanyl)ethene
MOLECULAR FORMULA: C2H2Br2
MOLECULAR WEIGHT: 185.84528
SMILES: C(=CBr)Br
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Product OPENEYE NAME: 2-bromoethanol
CAS Name: 2-bromoethanol
IUPAC NAME: 2-bromoethanol
SYSTEMATIC NAME: 2-bromanylethanol
MOLECULAR FORMULA: C2H5BrO
MOLECULAR WEIGHT: 124.9645
SMILES: C(CBr)O
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Product OPENEYE NAME: 1-chloropropane
CAS Name: 1-chloropropane
IUPAC NAME: 1-chloropropane
SYSTEMATIC NAME: 1-chloranylpropane
MOLECULAR FORMULA: C3H7Cl
MOLECULAR WEIGHT: 78.54068
SMILES: CCCCl
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Product OPENEYE NAME: 1,2-dichloroethylene
CAS Name: 1,2-dichloroethene
IUPAC NAME: 1,2-dichloroethene
SYSTEMATIC NAME: 1,2-bis(chloranyl)ethene
MOLECULAR FORMULA: C2H2Cl2
MOLECULAR WEIGHT: 96.94328
SMILES: C(=CCl)Cl
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Product OPENEYE NAME: 2-aminoacetonitrile
CAS Name: 2-aminoacetonitrile
IUPAC NAME: 2-aminoacetonitrile
SYSTEMATIC NAME: 2-azanylethanenitrile
MOLECULAR FORMULA: C2H4N2
MOLECULAR WEIGHT: 56.06656
SMILES: C(C#N)N
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Product OPENEYE NAME: ethane-1,2-dithiol
CAS Name: ethane-1,2-dithiol
IUPAC NAME: ethane-1,2-dithiol
SYSTEMATIC NAME: ethane-1,2-dithiol
MOLECULAR FORMULA: C2H6S2
MOLECULAR WEIGHT: 94.19904
SMILES: C(CS)S
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Product OPENEYE NAME: methoxyethane
CAS Name: methoxyethane
IUPAC NAME: methoxyethane
SYSTEMATIC NAME: methoxyethane
MOLECULAR FORMULA: C3H8O
MOLECULAR WEIGHT: 60.09502
SMILES: CCOC
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Product OPENEYE NAME: ammonia; formic acid
CAS Name: ammonia; formic acid
IUPAC NAME: azane; formic acid
SYSTEMATIC NAME: azane; methanoic acid
MOLECULAR FORMULA: CH5NO2
MOLECULAR WEIGHT: 63.0559
SMILES: C(=O)O.N
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Product OPENEYE NAME: tert-butyl nitrite
CAS Name: nitrous acid tert-butyl ester
IUPAC NAME: tert-butyl nitrite
SYSTEMATIC NAME: tert-butyl nitrite
MOLECULAR FORMULA: C4H9NO2
MOLECULAR WEIGHT: 103.11976
SMILES: CC(C)(C)ON=O
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Product OPENEYE NAME: 2,2,4-trimethylpentane
CAS Name: 2,2,4-trimethylpentane
IUPAC NAME: 2,2,4-trimethylpentane
SYSTEMATIC NAME: 2,2,4-trimethylpentane
MOLECULAR FORMULA: C8H18
MOLECULAR WEIGHT: 114.22852
SMILES: CC(C)CC(C)(C)C
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Product OPENEYE NAME: tert-butyl acetate
CAS Name: acetic acid tert-butyl ester
IUPAC NAME: tert-butyl acetate
SYSTEMATIC NAME: tert-butyl ethanoate
MOLECULAR FORMULA: C6H12O2
MOLECULAR WEIGHT: 116.15828
SMILES: CC(=O)OC(C)(C)C
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