Product OPENEYE NAME: ethyl 2-chloroacetate
CAS Name: 2-chloroacetic acid ethyl ester
IUPAC NAME: ethyl 2-chloroacetate
SYSTEMATIC NAME: ethyl 2-chloranylethanoate
MOLECULAR FORMULA: C4H7ClO2
MOLECULAR WEIGHT: 122.55018
SMILES: CCOC(=O)CCl
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Product OPENEYE NAME: ethyl N-methylcarbamate
CAS Name: N-methylcarbamic acid ethyl ester
IUPAC NAME: ethyl N-methylcarbamate
SYSTEMATIC NAME: ethyl N-methylcarbamate
MOLECULAR FORMULA: C4H9NO2
MOLECULAR WEIGHT: 103.11976
SMILES: CCOC(=O)NC
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Product OPENEYE NAME: 4-methylhexan-2-amine
CAS Name: 4-methyl-2-hexanamine
IUPAC NAME: 4-methylhexan-2-amine
SYSTEMATIC NAME: 4-methylhexan-2-amine
MOLECULAR FORMULA: C7H17N
MOLECULAR WEIGHT: 115.21658
SMILES: CCC(C)CC(C)N
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Product OPENEYE NAME: 4-methylhexan-2-one
CAS Name: 4-methyl-2-hexanone
IUPAC NAME: 4-methylhexan-2-one
SYSTEMATIC NAME: 4-methylhexan-2-one
MOLECULAR FORMULA: C7H14O
MOLECULAR WEIGHT: 114.18546
SMILES: CCC(C)CC(=O)C
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Product OPENEYE NAME: 3-methylpentanoic acid
CAS Name: 3-methylpentanoic acid
IUPAC NAME: 3-methylpentanoic acid
SYSTEMATIC NAME: 3-methylpentanoic acid
MOLECULAR FORMULA: C6H12O2
MOLECULAR WEIGHT: 116.15828
SMILES: CCC(C)CC(=O)O
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Product OPENEYE NAME: 4-methylpentan-2-one oxime
CAS Name: 4-methyl-2-pentanone oxime
IUPAC NAME: N-(4-methylpentan-2-ylidene)hydroxylamine
SYSTEMATIC NAME: N-(4-methylpentan-2-ylidene)hydroxylamine
MOLECULAR FORMULA: C6H13NO
MOLECULAR WEIGHT: 115.17352
SMILES: CC(C)CC(=NO)C
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Product OPENEYE NAME: methyl 3-oxobutanoate
CAS Name: 3-oxobutanoic acid methyl ester
IUPAC NAME: methyl 3-oxobutanoate
SYSTEMATIC NAME: methyl 3-oxidanylidenebutanoate
MOLECULAR FORMULA: C5H8O3
MOLECULAR WEIGHT: 116.11522
SMILES: CC(=O)CC(=O)OC
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Product OPENEYE NAME: sec-butyl acetate
CAS Name: acetic acid butan-2-yl ester
IUPAC NAME: butan-2-yl acetate
SYSTEMATIC NAME: butan-2-yl ethanoate
MOLECULAR FORMULA: C6H12O2
MOLECULAR WEIGHT: 116.15828
SMILES: CCC(C)OC(=O)C
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Product OPENEYE NAME: isopropyl 2-chloroacetate
CAS Name: 2-chloroacetic acid propan-2-yl ester
IUPAC NAME: propan-2-yl 2-chloroacetate
SYSTEMATIC NAME: propan-2-yl 2-chloranylethanoate
MOLECULAR FORMULA: C5H9ClO2
MOLECULAR WEIGHT: 136.57676
SMILES: CC(C)OC(=O)CCl
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Product OPENEYE NAME: diethyl propanedioate
CAS Name: propanedioic acid diethyl ester
IUPAC NAME: diethyl propanedioate
SYSTEMATIC NAME: diethyl propanedioate
MOLECULAR FORMULA: C7H12O4
MOLECULAR WEIGHT: 160.16778
SMILES: CCOC(=O)CC(=O)OCC
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Product OPENEYE NAME: ethyl butanoate
CAS Name: butanoic acid ethyl ester
IUPAC NAME: ethyl butanoate
SYSTEMATIC NAME: ethyl butanoate
MOLECULAR FORMULA: C6H12O2
MOLECULAR WEIGHT: 116.15828
SMILES: CCCC(=O)OCC
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Product OPENEYE NAME: ethyl 2-cyanoacetate
CAS Name: 2-cyanoacetic acid ethyl ester
IUPAC NAME: ethyl 2-cyanoacetate
SYSTEMATIC NAME: ethyl 2-cyanoethanoate
MOLECULAR FORMULA: C5H7NO2
MOLECULAR WEIGHT: 113.11458
SMILES: CCOC(=O)CC#N
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Product OPENEYE NAME: 1,1-diethoxyethane
CAS Name: 1,1-diethoxyethane
IUPAC NAME: 1,1-diethoxyethane
SYSTEMATIC NAME: 1,1-diethoxyethane
MOLECULAR FORMULA: C6H14O2
MOLECULAR WEIGHT: 118.17416
SMILES: CCOC(C)OCC
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Product OPENEYE NAME: diethyl carbonate
CAS Name: carbonic acid diethyl ester
IUPAC NAME: diethyl carbonate
SYSTEMATIC NAME: diethyl carbonate
MOLECULAR FORMULA: C5H10O3
MOLECULAR WEIGHT: 118.1311
SMILES: CCOC(=O)OCC
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Product OPENEYE NAME: 2-[2-hydroxyethyl(methyl)amino]ethanol
CAS Name: 2-[2-hydroxyethyl(methyl)amino]ethanol
IUPAC NAME: 2-[2-hydroxyethyl(methyl)amino]ethanol
SYSTEMATIC NAME: 2-[2-hydroxyethyl(methyl)amino]ethanol
MOLECULAR FORMULA: C5H13NO2
MOLECULAR WEIGHT: 119.16222
SMILES: CN(CCO)CCO
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Product OPENEYE NAME: azepan-2-one
CAS Name: 2-azepanone
IUPAC NAME: azepan-2-one
SYSTEMATIC NAME: azepan-2-one
MOLECULAR FORMULA: C6H11NO
MOLECULAR WEIGHT: 113.15764
SMILES: C1CCC(=O)NCC1
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Product OPENEYE NAME: isopropoxycarbonyloxy isopropyl carbonate
CAS Name: carbonic acid [oxo(propan-2-yloxy)methoxy] propan-2-yl ester
IUPAC NAME: propan-2-yl propan-2-yloxycarbonyloxy carbonate
SYSTEMATIC NAME: propan-2-yl propan-2-yloxycarbonyloxy carbonate
MOLECULAR FORMULA: C8H14O6
MOLECULAR WEIGHT: 206.19316
SMILES: CC(C)OC(=O)OOC(=O)OC(C)C
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Product OPENEYE NAME: propyl butanoate
CAS Name: butanoic acid propyl ester
IUPAC NAME: propyl butanoate
SYSTEMATIC NAME: propyl butanoate
MOLECULAR FORMULA: C7H14O2
MOLECULAR WEIGHT: 130.18486
SMILES: CCCC(=O)OCCC
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Product OPENEYE NAME: 2,4-dimethylphenol
CAS Name: 2,4-dimethylphenol
IUPAC NAME: 2,4-dimethylphenol
SYSTEMATIC NAME: 2,4-dimethylphenol
MOLECULAR FORMULA: C8H10O
MOLECULAR WEIGHT: 122.1644
SMILES: CC1=CC(=C(C=C1)O)C
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Product OPENEYE NAME: isopentyl propanoate
CAS Name: propanoic acid 3-methylbutyl ester
IUPAC NAME: 3-methylbutyl propanoate
SYSTEMATIC NAME: 3-methylbutyl propanoate
MOLECULAR FORMULA: C8H16O2
MOLECULAR WEIGHT: 144.21144
SMILES: CCC(=O)OCCC(C)C
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Product OPENEYE NAME: dodecanoyl dodecaneperoxoate
CAS Name: dodecaneperoxoic acid 1-oxododecyl ester
IUPAC NAME: dodecanoyl dodecaneperoxoate
SYSTEMATIC NAME: dodecanoyl dodecaneperoxoate
MOLECULAR FORMULA: C24H46O4
MOLECULAR WEIGHT: 398.61964
SMILES: CCCCCCCCCCCC(=O)OOC(=O)CCCCCCCCCCC
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Product OPENEYE NAME: dibutyl but-2-enedioate
CAS Name: 2-butenedioic acid dibutyl ester
IUPAC NAME: dibutyl but-2-enedioate
SYSTEMATIC NAME: dibutyl but-2-enedioate
MOLECULAR FORMULA: C12H20O4
MOLECULAR WEIGHT: 228.2848
SMILES: CCCCOC(=O)C=CC(=O)OCCCC
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Product OPENEYE NAME: isobutyl hexanoate
CAS Name: hexanoic acid 2-methylpropyl ester
IUPAC NAME: 2-methylpropyl hexanoate
SYSTEMATIC NAME: 2-methylpropyl hexanoate
MOLECULAR FORMULA: C10H20O2
MOLECULAR WEIGHT: 172.2646
SMILES: CCCCCC(=O)OCC(C)C
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