Product OPENEYE NAME: 2,6,10,15,19,23-hexamethyltetracosane
CAS Name: 2,6,10,15,19,23-hexamethyltetracosane
IUPAC NAME: 2,6,10,15,19,23-hexamethyltetracosane
SYSTEMATIC NAME: 2,6,10,15,19,23-hexamethyltetracosane
MOLECULAR FORMULA: C30H62
MOLECULAR WEIGHT: 422.81328
SMILES: CC(C)CCCC(C)CCCC(C)CCCCC(C)CCCC(C)CCCC(C)C
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Product OPENEYE NAME: butyl hexadecanoate
CAS Name: hexadecanoic acid butyl ester
IUPAC NAME: butyl hexadecanoate
SYSTEMATIC NAME: butyl hexadecanoate
MOLECULAR FORMULA: C20H40O2
MOLECULAR WEIGHT: 312.5304
SMILES: CCCCCCCCCCCCCCCC(=O)OCCCC
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Product OPENEYE NAME: methyl octanoate
CAS Name: octanoic acid methyl ester
IUPAC NAME: methyl octanoate
SYSTEMATIC NAME: methyl octanoate
MOLECULAR FORMULA: C9H18O2
MOLECULAR WEIGHT: 158.23802
SMILES: CCCCCCCC(=O)OC
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Product OPENEYE NAME: methyl oct-2-ynoate
CAS Name: 2-octynoic acid methyl ester
IUPAC NAME: methyl oct-2-ynoate
SYSTEMATIC NAME: methyl oct-2-ynoate
MOLECULAR FORMULA: C9H14O2
MOLECULAR WEIGHT: 154.20626
SMILES: CCCCCC#CC(=O)OC
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Product OPENEYE NAME: octan-2-one
CAS Name: 2-octanone
IUPAC NAME: octan-2-one
SYSTEMATIC NAME: octan-2-one
MOLECULAR FORMULA: C8H16O
MOLECULAR WEIGHT: 128.21204
SMILES: CCCCCCC(=O)C
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Product OPENEYE NAME: heptanoic acid
CAS Name: heptanoic acid
IUPAC NAME: heptanoic acid
SYSTEMATIC NAME: heptanoic acid
MOLECULAR FORMULA: C7H14O2
MOLECULAR WEIGHT: 130.18486
SMILES: CCCCCCC(=O)O
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Product OPENEYE NAME: 2-ethoxyethyl acetate
CAS Name: acetic acid 2-ethoxyethyl ester
IUPAC NAME: 2-ethoxyethyl acetate
SYSTEMATIC NAME: 2-ethoxyethyl ethanoate
MOLECULAR FORMULA: C6H12O3
MOLECULAR WEIGHT: 132.15768
SMILES: CCOCCOC(=O)C
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Product OPENEYE NAME: 3-(2-carboxyethylsulfanyl)propanoic acid
CAS Name: 3-(2-carboxyethylthio)propanoic acid
IUPAC NAME: 3-(2-carboxyethylsulfanyl)propanoic acid
SYSTEMATIC NAME: 3-(3-hydroxy-3-oxopropylsulfanyl)propanoic acid
MOLECULAR FORMULA: C6H10O4S
MOLECULAR WEIGHT: 178.2062
SMILES: C(CSCCC(=O)O)C(=O)O
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Product OPENEYE NAME: N,N,N',N'-tetramethylhexane-1,6-diamine
CAS Name: N,N,N',N'-tetramethylhexane-1,6-diamine
IUPAC NAME: N,N,N',N'-tetramethylhexane-1,6-diamine
SYSTEMATIC NAME: N,N,N',N'-tetramethylhexane-1,6-diamine
MOLECULAR FORMULA: C10H24N2
MOLECULAR WEIGHT: 172.31096
SMILES: CN(C)CCCCCCN(C)C
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Product OPENEYE NAME: 2-[2-(2-acetoxyethoxy)ethoxy]ethyl acetate
CAS Name: acetic acid 2-[2-(2-acetyloxyethoxy)ethoxy]ethyl ester
IUPAC NAME: 2-[2-(2-acetyloxyethoxy)ethoxy]ethyl acetate
SYSTEMATIC NAME: 2-[2-(2-acetyloxyethoxy)ethoxy]ethyl ethanoate
MOLECULAR FORMULA: C10H18O6
MOLECULAR WEIGHT: 234.24632
SMILES: CC(=O)OCCOCCOCCOC(=O)C
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Product OPENEYE NAME: 2-[2-(2-nitrooxyethoxy)ethoxy]ethyl nitrate
CAS Name: nitric acid 2-[2-(2-nitrooxyethoxy)ethoxy]ethyl ester
IUPAC NAME: 2-[2-(2-nitrooxyethoxy)ethoxy]ethyl nitrate
SYSTEMATIC NAME: 2-[2-(2-nitrooxyethoxy)ethoxy]ethyl nitrate
MOLECULAR FORMULA: C6H12N2O8
MOLECULAR WEIGHT: 240.16808
SMILES: C(COCCO[N+](=O)[O-])OCCO[N+](=O)[O-]
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Product OPENEYE NAME: 1,5-dibromopentane
CAS Name: 1,5-dibromopentane
IUPAC NAME: 1,5-dibromopentane
SYSTEMATIC NAME: 1,5-bis(bromanyl)pentane
MOLECULAR FORMULA: C5H10Br2
MOLECULAR WEIGHT: 229.9409
SMILES: C(CCBr)CCBr
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Product OPENEYE NAME: 1-bromohexane
CAS Name: 1-bromohexane
IUPAC NAME: 1-bromohexane
SYSTEMATIC NAME: 1-bromanylhexane
MOLECULAR FORMULA: C6H13Br
MOLECULAR WEIGHT: 165.07142
SMILES: CCCCCCBr
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Product OPENEYE NAME: hexan-1-amine
CAS Name: 1-hexanamine
IUPAC NAME: hexan-1-amine
SYSTEMATIC NAME: hexan-1-amine
MOLECULAR FORMULA: C6H15N
MOLECULAR WEIGHT: 101.19
SMILES: CCCCCCN
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Product OPENEYE NAME: hexan-1-ol
CAS Name: 1-hexanol
IUPAC NAME: hexan-1-ol
SYSTEMATIC NAME: hexan-1-ol
MOLECULAR FORMULA: C6H14O
MOLECULAR WEIGHT: 102.17476
SMILES: CCCCCCO
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Product OPENEYE NAME: hexa-2,4-dien-1-ol
CAS Name: 1-hexa-2,4-dienol
IUPAC NAME: hexa-2,4-dien-1-ol
SYSTEMATIC NAME: hexa-2,4-dien-1-ol
MOLECULAR FORMULA: C6H10O
MOLECULAR WEIGHT: 98.143
SMILES: CC=CC=CCO
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Product OPENEYE NAME: pentane-1,5-diol
CAS Name: pentane-1,5-diol
IUPAC NAME: pentane-1,5-diol
SYSTEMATIC NAME: pentane-1,5-diol
MOLECULAR FORMULA: C5H12O2
MOLECULAR WEIGHT: 104.14758
SMILES: C(CCO)CCO
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Product OPENEYE NAME: hexane-1-thiol
CAS Name: 1-hexanethiol
IUPAC NAME: hexane-1-thiol
SYSTEMATIC NAME: hexane-1-thiol
MOLECULAR FORMULA: C6H14S
MOLECULAR WEIGHT: 118.24036
SMILES: CCCCCCS
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