Product OPENEYE NAME: 4-(2-hydroxyethyl)phenol
CAS Name: 4-(2-hydroxyethyl)phenol
IUPAC NAME: 4-(2-hydroxyethyl)phenol
SYSTEMATIC NAME: 4-(2-hydroxyethyl)phenol
MOLECULAR FORMULA: C8H10O2
MOLECULAR WEIGHT: 138.1638
SMILES: C1=CC(=CC=C1CCO)O
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Product OPENEYE NAME: 3-(4-hydroxyphenyl)propanoic acid
CAS Name: 3-(4-hydroxyphenyl)propanoic acid
IUPAC NAME: 3-(4-hydroxyphenyl)propanoic acid
SYSTEMATIC NAME: 3-(4-hydroxyphenyl)propanoic acid
MOLECULAR FORMULA: C9H10O3
MOLECULAR WEIGHT: 166.1739
SMILES: C1=CC(=CC=C1CCC(=O)O)O
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Product OPENEYE NAME: 5-hepta-1,2-dien-4,6-diynyltetrahydrofuran-2-one
CAS Name: 5-hepta-1,2-dien-4,6-diynyl-2-oxolanone
IUPAC NAME: 5-hepta-1,2-dien-4,6-diynyloxolan-2-one
SYSTEMATIC NAME: 5-hepta-1,2-dien-4,6-diynyloxolan-2-one
MOLECULAR FORMULA: C11H8O2
MOLECULAR WEIGHT: 172.18002
SMILES: C#CC#CC=C=CC1CCC(=O)O1
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Product OPENEYE NAME: 5-tetradecyltetrahydrofuran-2-one
CAS Name: 5-tetradecyl-2-oxolanone
IUPAC NAME: 5-tetradecyloxolan-2-one
SYSTEMATIC NAME: 5-tetradecyloxolan-2-one
MOLECULAR FORMULA: C18H34O2
MOLECULAR WEIGHT: 282.46136
SMILES: CCCCCCCCCCCCCCC1CCC(=O)O1
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Product OPENEYE NAME: ethyl 9-fluoro-3-oxo-nonanoate
CAS Name: 9-fluoro-3-oxononanoic acid ethyl ester
IUPAC NAME: ethyl 9-fluoro-3-oxononanoate
SYSTEMATIC NAME: ethyl 9-fluoranyl-3-oxidanylidene-nonanoate
MOLECULAR FORMULA: C11H19FO3
MOLECULAR WEIGHT: 218.265163
SMILES: CCOC(=O)CC(=O)CCCCCCF
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Product OPENEYE NAME: (N'-cyanocarbamimidoyl)azanide; methylmercury(1+)
CAS Name: [amino(cyanoimino)methyl]azanide; methylmercury(1+)
IUPAC NAME: (N'-cyanocarbamimidoyl)azanide; methylmercury(1+)
SYSTEMATIC NAME: (N'-cyanocarbamimidoyl)azanide; methylmercury(1+)
MOLECULAR FORMULA: C3H6HgN4
MOLECULAR WEIGHT: 298.69654
SMILES: C[Hg+].C(#N)N=C(N)[NH-]
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Product OPENEYE NAME: cycloheptanol
CAS Name: cycloheptanol
IUPAC NAME: cycloheptanol
SYSTEMATIC NAME: cycloheptanol
MOLECULAR FORMULA: C7H14O
MOLECULAR WEIGHT: 114.18546
SMILES: C1CCCC(CC1)O
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Product OPENEYE NAME: cycloheptanone
CAS Name: cycloheptanone
IUPAC NAME: cycloheptanone
SYSTEMATIC NAME: cycloheptanone
MOLECULAR FORMULA: C7H12O
MOLECULAR WEIGHT: 112.16958
SMILES: C1CCCC(=O)CC1
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Product OPENEYE NAME: oxepan-2-one
CAS Name: 2-oxepanone
IUPAC NAME: oxepan-2-one
SYSTEMATIC NAME: oxepan-2-one
MOLECULAR FORMULA: C6H10O2
MOLECULAR WEIGHT: 114.1424
SMILES: C1CCC(=O)OCC1
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Product OPENEYE NAME: 3,7-dimethyloct-6-enoic acid
CAS Name: 3,7-dimethyl-6-octenoic acid
IUPAC NAME: 3,7-dimethyloct-6-enoic acid
SYSTEMATIC NAME: 3,7-dimethyloct-6-enoic acid
MOLECULAR FORMULA: C10H18O2
MOLECULAR WEIGHT: 170.24872
SMILES: CC(CCC=C(C)C)CC(=O)O
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Product OPENEYE NAME: cyclooctanone
CAS Name: cyclooctanone
IUPAC NAME: cyclooctanone
SYSTEMATIC NAME: cyclooctanone
MOLECULAR FORMULA: C8H14O
MOLECULAR WEIGHT: 126.19616
SMILES: C1CCCC(=O)CCC1
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Product OPENEYE NAME: O-ethyl (ethoxycarbothioyldisulfanyl)methanethioate
CAS Name: [[ethoxy(sulfanylidene)methyl]disulfanyl]methanethioic acid O-ethyl ester
IUPAC NAME: O-ethyl (ethoxycarbothioyldisulfanyl)methanethioate
SYSTEMATIC NAME: O-ethyl (ethoxycarbothioyldisulfanyl)methanethioate
MOLECULAR FORMULA: C6H10O2S4
MOLECULAR WEIGHT: 242.4024
SMILES: CCOC(=S)SSC(=S)OCC
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Product OPENEYE NAME: nonan-5-one
CAS Name: 5-nonanone
IUPAC NAME: nonan-5-one
SYSTEMATIC NAME: nonan-5-one
MOLECULAR FORMULA: C9H18O
MOLECULAR WEIGHT: 142.23862
SMILES: CCCCC(=O)CCCC
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Product OPENEYE NAME: N-isopentyl-6-methyl-heptan-2-amine
CAS Name: 6-methyl-N-(3-methylbutyl)-2-heptanamine
IUPAC NAME: 6-methyl-N-(3-methylbutyl)heptan-2-amine
SYSTEMATIC NAME: 6-methyl-N-(3-methylbutyl)heptan-2-amine
MOLECULAR FORMULA: C13H29N
MOLECULAR WEIGHT: 199.37606
SMILES: CC(C)CCCC(C)NCCC(C)C
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Product OPENEYE NAME: 7,11-dimethyl-3-methylene-dodeca-1,6,10-triene
CAS Name: 7,11-dimethyl-3-methylenedodeca-1,6,10-triene
IUPAC NAME: 7,11-dimethyl-3-methylidenedodeca-1,6,10-triene
SYSTEMATIC NAME: 7,11-dimethyl-3-methylidene-dodeca-1,6,10-triene
MOLECULAR FORMULA: C15H24
MOLECULAR WEIGHT: 204.35106
SMILES: CC(=CCCC(=CCCC(=C)C=C)C)C
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Product OPENEYE NAME: 6,10,14-trimethylpentadecan-2-one
CAS Name: 6,10,14-trimethyl-2-pentadecanone
IUPAC NAME: 6,10,14-trimethylpentadecan-2-one
SYSTEMATIC NAME: 6,10,14-trimethylpentadecan-2-one
MOLECULAR FORMULA: C18H36O
MOLECULAR WEIGHT: 268.47784
SMILES: CC(C)CCCC(C)CCCC(C)CCCC(=O)C
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Product OPENEYE NAME: cyclopentadecanone
CAS Name: cyclopentadecanone
IUPAC NAME: cyclopentadecanone
SYSTEMATIC NAME: cyclopentadecanone
MOLECULAR FORMULA: C15H28O
MOLECULAR WEIGHT: 224.38222
SMILES: C1CCCCCCCC(=O)CCCCCC1
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Product OPENEYE NAME: 4-fluorobutanoic acid
CAS Name: 4-fluorobutanoic acid
IUPAC NAME: 4-fluorobutanoic acid
SYSTEMATIC NAME: 4-fluoranylbutanoic acid
MOLECULAR FORMULA: C4H7FO2
MOLECULAR WEIGHT: 106.095583
SMILES: C(CC(=O)O)CF
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Product OPENEYE NAME: 4-hydroxybutanoic acid
CAS Name: 4-hydroxybutanoic acid
IUPAC NAME: 4-hydroxybutanoic acid
SYSTEMATIC NAME: 4-oxidanylbutanoic acid
MOLECULAR FORMULA: C4H8O3
MOLECULAR WEIGHT: 104.10452
SMILES: C(CC(=O)O)CO
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Product OPENEYE NAME: 2-chloro-1-(N'-chlorocarbamimidoyl)imino-guanidine
CAS Name: 1-[amino(chloroimino)methyl]imino-2-chloroguanidine
IUPAC NAME: 2-chloro-1-(N'-chlorocarbamimidoyl)iminoguanidine
SYSTEMATIC NAME: 2-chloranyl-1-(N'-chloranylcarbamimidoyl)imino-guanidine
MOLECULAR FORMULA: C2H4Cl2N6
MOLECULAR WEIGHT: 182.99936
SMILES: C(=NCl)(N)N=NC(=NCl)N
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Product OPENEYE NAME: N,6-dimethylheptan-2-amine
CAS Name: N,6-dimethyl-2-heptanamine
IUPAC NAME: N,6-dimethylheptan-2-amine
SYSTEMATIC NAME: N,6-dimethylheptan-2-amine
MOLECULAR FORMULA: C9H21N
MOLECULAR WEIGHT: 143.26974
SMILES: CC(C)CCCC(C)NC
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Product OPENEYE NAME: 7-(2-octylcyclopropen-1-yl)heptanoic acid
CAS Name: 7-(2-octyl-1-cyclopropenyl)heptanoic acid
IUPAC NAME: 7-(2-octylcyclopropen-1-yl)heptanoic acid
SYSTEMATIC NAME: 7-(2-octylcyclopropen-1-yl)heptanoic acid
MOLECULAR FORMULA: C18H32O2
MOLECULAR WEIGHT: 280.44548
SMILES: CCCCCCCCC1=C(C1)CCCCCCC(=O)O
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