Product OPENEYE NAME: thiophene
CAS Name: thiophene
IUPAC NAME: thiophene
SYSTEMATIC NAME: thiophene
MOLECULAR FORMULA: C4H4S
MOLECULAR WEIGHT: 84.13956
SMILES: C1=CSC=C1
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Product OPENEYE NAME: 2,5-dimethylhexane-2,5-diol
CAS Name: 2,5-dimethylhexane-2,5-diol
IUPAC NAME: 2,5-dimethylhexane-2,5-diol
SYSTEMATIC NAME: 2,5-dimethylhexane-2,5-diol
MOLECULAR FORMULA: C8H18O2
MOLECULAR WEIGHT: 146.22732
SMILES: CC(C)(CCC(C)(C)O)O
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Product OPENEYE NAME: ethane-1,2-disulfonic acid
CAS Name: ethane-1,2-disulfonic acid
IUPAC NAME: ethane-1,2-disulfonic acid
SYSTEMATIC NAME: ethane-1,2-disulfonic acid
MOLECULAR FORMULA: C2H6O6S2
MOLECULAR WEIGHT: 190.19544
SMILES: C(CS(=O)(=O)O)S(=O)(=O)O
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Product OPENEYE NAME: 2-tert-butylperoxy-2-methyl-propane
CAS Name: 2-tert-butyldioxy-2-methylpropane
IUPAC NAME: 2-tert-butylperoxy-2-methylpropane
SYSTEMATIC NAME: 2-tert-butylperoxy-2-methyl-propane
MOLECULAR FORMULA: C8H18O2
MOLECULAR WEIGHT: 146.22732
SMILES: CC(C)(C)OOC(C)(C)C
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Product OPENEYE NAME: 5-methylhexan-2-one
CAS Name: 5-methyl-2-hexanone
IUPAC NAME: 5-methylhexan-2-one
SYSTEMATIC NAME: 5-methylhexan-2-one
MOLECULAR FORMULA: C7H14O
MOLECULAR WEIGHT: 114.18546
SMILES: CC(C)CCC(=O)C
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Product OPENEYE NAME: hexane-2,5-dione
CAS Name: hexane-2,5-dione
IUPAC NAME: hexane-2,5-dione
SYSTEMATIC NAME: hexane-2,5-dione
MOLECULAR FORMULA: C6H10O2
MOLECULAR WEIGHT: 114.1424
SMILES: CC(=O)CCC(=O)C
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Product OPENEYE NAME: butanediamide
CAS Name: butanediamide
IUPAC NAME: butanediamide
SYSTEMATIC NAME: butanediamide
MOLECULAR FORMULA: C4H8N2O2
MOLECULAR WEIGHT: 116.11852
SMILES: C(CC(=O)N)C(=O)N
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Product OPENEYE NAME: N,N,N',N'-tetramethylethane-1,2-diamine
CAS Name: N,N,N',N'-tetramethylethane-1,2-diamine
IUPAC NAME: N,N,N',N'-tetramethylethane-1,2-diamine
SYSTEMATIC NAME: N,N,N',N'-tetramethylethane-1,2-diamine
MOLECULAR FORMULA: C6H16N2
MOLECULAR WEIGHT: 116.20464
SMILES: CN(C)CCN(C)C
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Product OPENEYE NAME: isobutyl acetate
CAS Name: acetic acid 2-methylpropyl ester
IUPAC NAME: 2-methylpropyl acetate
SYSTEMATIC NAME: 2-methylpropyl ethanoate
MOLECULAR FORMULA: C6H12O2
MOLECULAR WEIGHT: 116.15828
SMILES: CC(C)COC(=O)C
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Product OPENEYE NAME: ureidourea
CAS Name: (carbamoylamino)urea
IUPAC NAME: (carbamoylamino)urea
SYSTEMATIC NAME: 1-(aminocarbonylamino)urea
MOLECULAR FORMULA: C2H6N4O2
MOLECULAR WEIGHT: 118.09464
SMILES: C(=O)(N)NNC(=O)N
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Product OPENEYE NAME: acetyl peroxyacetate
CAS Name: ethaneperoxoic acid acetyl ester
IUPAC NAME: acetyl ethaneperoxoate
SYSTEMATIC NAME: ethanoyl ethaneperoxoate
MOLECULAR FORMULA: C4H6O4
MOLECULAR WEIGHT: 118.08804
SMILES: CC(=O)OOC(=O)C
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Product OPENEYE NAME: N-[(prop-2-enoylamino)methyl]prop-2-enamide
CAS Name: N-[(1-oxoprop-2-enylamino)methyl]-2-propenamide
IUPAC NAME: N-[(prop-2-enoylamino)methyl]prop-2-enamide
SYSTEMATIC NAME: N-[(prop-2-enoylamino)methyl]prop-2-enamide
MOLECULAR FORMULA: C7H10N2O2
MOLECULAR WEIGHT: 154.1665
SMILES: C=CC(=O)NCNC(=O)C=C
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Product OPENEYE NAME: isopropyl tetradecanoate
CAS Name: tetradecanoic acid propan-2-yl ester
IUPAC NAME: propan-2-yl tetradecanoate
SYSTEMATIC NAME: propan-2-yl tetradecanoate
MOLECULAR FORMULA: C17H34O2
MOLECULAR WEIGHT: 270.45066
SMILES: CCCCCCCCCCCCCC(=O)OC(C)C
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Product OPENEYE NAME: O6-decyl O1-octyl hexanedioate
CAS Name: hexanedioic acid O6-decyl ester O1-octyl ester
IUPAC NAME: 6-O-decyl 1-O-octyl hexanedioate
SYSTEMATIC NAME: O6-decyl O1-octyl hexanedioate
MOLECULAR FORMULA: C24H46O4
MOLECULAR WEIGHT: 398.61964
SMILES: CCCCCCCCCCOC(=O)CCCCC(=O)OCCCCCCCC
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Product OPENEYE NAME: N-[2-(octadecanoylamino)ethyl]octadecanamide
CAS Name: N-[2-(1-oxooctadecylamino)ethyl]octadecanamide
IUPAC NAME: N-[2-(octadecanoylamino)ethyl]octadecanamide
SYSTEMATIC NAME: N-[2-(octadecanoylamino)ethyl]octadecanamide
MOLECULAR FORMULA: C38H76N2O2
MOLECULAR WEIGHT: 593.02224
SMILES: CCCCCCCCCCCCCCCCCC(=O)NCCNC(=O)CCCCCCCCCCCCCCCCC
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Product OPENEYE NAME: bis(2-hexoxyethyl) hexanedioate
CAS Name: hexanedioic acid bis(2-hexoxyethyl) ester
IUPAC NAME: bis(2-hexoxyethyl) hexanedioate
SYSTEMATIC NAME: bis(2-hexoxyethyl) hexanedioate
MOLECULAR FORMULA: C22H42O6
MOLECULAR WEIGHT: 402.56528
SMILES: CCCCCCOCCOC(=O)CCCCC(=O)OCCOCCCCCC
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Product OPENEYE NAME: dihexyl hexanedioate
CAS Name: hexanedioic acid dihexyl ester
IUPAC NAME: dihexyl hexanedioate
SYSTEMATIC NAME: dihexyl hexanedioate
MOLECULAR FORMULA: C18H34O4
MOLECULAR WEIGHT: 314.46016
SMILES: CCCCCCOC(=O)CCCCC(=O)OCCCCCC
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Product OPENEYE NAME: butyl tetradecanoate
CAS Name: tetradecanoic acid butyl ester
IUPAC NAME: butyl tetradecanoate
SYSTEMATIC NAME: butyl tetradecanoate
MOLECULAR FORMULA: C18H36O2
MOLECULAR WEIGHT: 284.47724
SMILES: CCCCCCCCCCCCCC(=O)OCCCC
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Product OPENEYE NAME: ethyl decanoate
CAS Name: decanoic acid ethyl ester
IUPAC NAME: ethyl decanoate
SYSTEMATIC NAME: ethyl decanoate
MOLECULAR FORMULA: C12H24O2
MOLECULAR WEIGHT: 200.31776
SMILES: CCCCCCCCCC(=O)OCC
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Product OPENEYE NAME: diethyl decanedioate
CAS Name: decanedioic acid diethyl ester
IUPAC NAME: diethyl decanedioate
SYSTEMATIC NAME: diethyl decanedioate
MOLECULAR FORMULA: C14H26O4
MOLECULAR WEIGHT: 258.35384
SMILES: CCOC(=O)CCCCCCCCC(=O)OCC
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Product OPENEYE NAME: methyl decanoate
CAS Name: decanoic acid methyl ester
IUPAC NAME: methyl decanoate
SYSTEMATIC NAME: methyl decanoate
MOLECULAR FORMULA: C11H22O2
MOLECULAR WEIGHT: 186.29118
SMILES: CCCCCCCCCC(=O)OC
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Product OPENEYE NAME: heptan-2-one
CAS Name: 2-heptanone
IUPAC NAME: heptan-2-one
SYSTEMATIC NAME: heptan-2-one
MOLECULAR FORMULA: C7H14O
MOLECULAR WEIGHT: 114.18546
SMILES: CCCCCC(=O)C
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