Product OPENEYE NAME: 2,3-dimethylpyridine
CAS Name: 2,3-dimethylpyridine
IUPAC NAME: 2,3-dimethylpyridine
SYSTEMATIC NAME: 2,3-dimethylpyridine
MOLECULAR FORMULA: C7H9N
MOLECULAR WEIGHT: 107.15306
SMILES: CC1=C(N=CC=C1)C
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Product OPENEYE NAME: 1,2-benzoquinone
CAS Name: cyclohexa-3,5-diene-1,2-dione
IUPAC NAME: cyclohexa-3,5-diene-1,2-dione
SYSTEMATIC NAME: cyclohexa-3,5-diene-1,2-dione
MOLECULAR FORMULA: C6H4O2
MOLECULAR WEIGHT: 108.09476
SMILES: C1=CC(=O)C(=O)C=C1
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Product OPENEYE NAME: 2-bromo-4-methyl-aniline
CAS Name: 2-bromo-4-methylaniline
IUPAC NAME: 2-bromo-4-methylaniline
SYSTEMATIC NAME: 2-bromanyl-4-methyl-aniline
MOLECULAR FORMULA: C7H8BrN
MOLECULAR WEIGHT: 186.04912
SMILES: CC1=CC(=C(C=C1)N)Br
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Product OPENEYE NAME: 4-bromo-2-methyl-aniline
CAS Name: 4-bromo-2-methylaniline
IUPAC NAME: 4-bromo-2-methylaniline
SYSTEMATIC NAME: 4-bromanyl-2-methyl-aniline
MOLECULAR FORMULA: C7H8BrN
MOLECULAR WEIGHT: 186.04912
SMILES: CC1=C(C=CC(=C1)Br)N
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Product OPENEYE NAME: 2-hydroxy-6-methyl-cyclohepta-2,4,6-trien-1-one
CAS Name: 2-hydroxy-6-methyl-1-cyclohepta-2,4,6-trienone
IUPAC NAME: 2-hydroxy-6-methylcyclohepta-2,4,6-trien-1-one
SYSTEMATIC NAME: 6-methyl-2-oxidanyl-cyclohepta-2,4,6-trien-1-one
MOLECULAR FORMULA: C8H8O2
MOLECULAR WEIGHT: 136.14792
SMILES: CC1=CC(=O)C(=CC=C1)O
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Product OPENEYE NAME: ethyl 2-amino-3-[(2-amino-3-ethoxy-3-oxo-propyl)disulfanyl]propanoate
CAS Name: 2-amino-3-[(2-amino-3-ethoxy-3-oxopropyl)disulfanyl]propanoic acid ethyl ester
IUPAC NAME: ethyl 2-amino-3-[(2-amino-3-ethoxy-3-oxopropyl)disulfanyl]propanoate
SYSTEMATIC NAME: ethyl 2-azanyl-3-[(2-azanyl-3-ethoxy-3-oxidanylidene-propyl)disulfanyl]propanoate
MOLECULAR FORMULA: C10H20N2O4S2
MOLECULAR WEIGHT: 296.4068
SMILES: CCOC(=O)C(CSSCC(C(=O)OCC)N)N
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Product OPENEYE NAME: 2-hydroxy-4-methylsulfanyl-butanoic acid
CAS Name: 2-hydroxy-4-(methylthio)butanoic acid
IUPAC NAME: 2-hydroxy-4-methylsulfanylbutanoic acid
SYSTEMATIC NAME: 4-methylsulfanyl-2-oxidanyl-butanoic acid
MOLECULAR FORMULA: C5H10O3S
MOLECULAR WEIGHT: 150.1961
SMILES: CSCCC(C(=O)O)O
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Product OPENEYE NAME: pentan-3-ol
CAS Name: 3-pentanol
IUPAC NAME: pentan-3-ol
SYSTEMATIC NAME: pentan-3-ol
MOLECULAR FORMULA: C5H12O
MOLECULAR WEIGHT: 88.14818
SMILES: CCC(CC)O
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Product OPENEYE NAME: butane-1,2-diol
CAS Name: butane-1,2-diol
IUPAC NAME: butane-1,2-diol
SYSTEMATIC NAME: butane-1,2-diol
MOLECULAR FORMULA: C4H10O2
MOLECULAR WEIGHT: 90.121
SMILES: CCC(CO)O
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Product OPENEYE NAME: dipotassium carbonate
CAS Name: dipotassium carbonate
IUPAC NAME: dipotassium carbonate
SYSTEMATIC NAME: dipotassium carbonate
MOLECULAR FORMULA: CK2O3
MOLECULAR WEIGHT: 138.2055
SMILES: C(=O)([O-])[O-].[K+].[K+]
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Product OPENEYE NAME: rubidium(1+) carbonate
CAS Name: rubidium(1+) carbonate
IUPAC NAME: rubidium(1+) carbonate
SYSTEMATIC NAME: rubidium(1+) carbonate
MOLECULAR FORMULA: CO3Rb2
MOLECULAR WEIGHT: 230.9445
SMILES: C(=O)([O-])[O-].[Rb+].[Rb+]
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Product OPENEYE NAME: 1,2,4-triazol-4-amine
CAS Name: 1,2,4-triazol-4-amine
IUPAC NAME: 1,2,4-triazol-4-amine
SYSTEMATIC NAME: 1,2,4-triazol-4-amine
MOLECULAR FORMULA: C2H4N4
MOLECULAR WEIGHT: 84.07996
SMILES: C1=NN=CN1N
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Product OPENEYE NAME: acetic acid; [2-hydroxy-5-(1,1,3,3-tetramethylbutyl)phenyl]mercury
CAS Name: acetic acid; [2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]mercury
IUPAC NAME: acetic acid; [2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]mercury
SYSTEMATIC NAME: ethanoic acid; [2-oxidanyl-5-(2,4,4-trimethylpentan-2-yl)phenyl]mercury
MOLECULAR FORMULA: C16H25HgO3
MOLECULAR WEIGHT: 465.9579
SMILES: CC(=O)O.CC(C)(C)CC(C)(C)C1=CC(=C(C=C1)O)[Hg]
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Product OPENEYE NAME: [2-hydroxy-5-(1,1,3,3-tetramethylbutyl)phenyl]mercury
CAS Name: [2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]mercury
IUPAC NAME: [2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]mercury
SYSTEMATIC NAME: [2-oxidanyl-5-(2,4,4-trimethylpentan-2-yl)phenyl]mercury
MOLECULAR FORMULA: C14H21HgO
MOLECULAR WEIGHT: 405.90594
SMILES: CC(C)(C)CC(C)(C)C1=CC(=C(C=C1)O)[Hg]
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Product OPENEYE NAME: mercuric 5-oxo-3,4-dihydropyrrol-2-olate
CAS Name: mercury(2+); 5-oxo-3,4-dihydropyrrol-2-olate
IUPAC NAME: mercury(2+); 5-oxo-3,4-dihydropyrrol-2-olate
SYSTEMATIC NAME: mercury(2+); 5-oxidanylidene-3,4-dihydropyrrol-2-olate
MOLECULAR FORMULA: C8H8HgN2O4
MOLECULAR WEIGHT: 396.75012
SMILES: C1CC(=O)N=C1[O-].C1CC(=O)N=C1[O-].[Hg+2]
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Product OPENEYE NAME: pyrrolidine-2,5-dione
CAS Name: pyrrolidine-2,5-dione
IUPAC NAME: pyrrolidine-2,5-dione
SYSTEMATIC NAME: pyrrolidine-2,5-dione
MOLECULAR FORMULA: C4H5NO2
MOLECULAR WEIGHT: 99.088
SMILES: C1CC(=O)NC1=O
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Product OPENEYE NAME: 4-hydroxy-5-isopropyl-2-methyl-benzoic acid
CAS Name: 4-hydroxy-2-methyl-5-propan-2-ylbenzoic acid
IUPAC NAME: 4-hydroxy-2-methyl-5-propan-2-ylbenzoic acid
SYSTEMATIC NAME: 2-methyl-4-oxidanyl-5-propan-2-yl-benzoic acid
MOLECULAR FORMULA: C11H14O3
MOLECULAR WEIGHT: 194.22706
SMILES: CC1=CC(=C(C=C1C(=O)O)C(C)C)O
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