Product OPENEYE NAME: 2-bromo-N-carbamoyl-2-ethyl-butanamide
CAS Name: 2-bromo-N-carbamoyl-2-ethylbutanamide
IUPAC NAME: 2-bromo-N-carbamoyl-2-ethylbutanamide
SYSTEMATIC NAME: N-aminocarbonyl-2-bromanyl-2-ethyl-butanamide
MOLECULAR FORMULA: C7H13BrN2O2
MOLECULAR WEIGHT: 237.09432
SMILES: CCC(CC)(C(=O)NC(=O)N)Br
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Product OPENEYE NAME: N-(acetylcarbamoyl)-2-bromo-2-ethyl-butanamide
CAS Name: N-[acetamido(oxo)methyl]-2-bromo-2-ethylbutanamide
IUPAC NAME: N-(acetylcarbamoyl)-2-bromo-2-ethylbutanamide
SYSTEMATIC NAME: 2-bromanyl-N-(ethanoylcarbamoyl)-2-ethyl-butanamide
MOLECULAR FORMULA: C9H15BrN2O3
MOLECULAR WEIGHT: 279.131
SMILES: CCC(CC)(C(=O)NC(=O)NC(=O)C)Br
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Product OPENEYE NAME: (3-hydroxy-2,2,4-trimethyl-pentyl) 2-methylpropanoate
CAS Name: 2-methylpropanoic acid (3-hydroxy-2,2,4-trimethylpentyl) ester
IUPAC NAME: (3-hydroxy-2,2,4-trimethylpentyl) 2-methylpropanoate
SYSTEMATIC NAME: (2,2,4-trimethyl-3-oxidanyl-pentyl) 2-methylpropanoate
MOLECULAR FORMULA: C12H24O3
MOLECULAR WEIGHT: 216.31716
SMILES: CC(C)C(C(C)(C)COC(=O)C(C)C)O
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Product OPENEYE NAME: 5,5-dimethylimidazolidine-2,4-dione
CAS Name: 5,5-dimethylimidazolidine-2,4-dione
IUPAC NAME: 5,5-dimethylimidazolidine-2,4-dione
SYSTEMATIC NAME: 5,5-dimethylimidazolidine-2,4-dione
MOLECULAR FORMULA: C5H8N2O2
MOLECULAR WEIGHT: 128.12922
SMILES: CC1(C(=O)NC(=O)N1)C
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C10H12
MOLECULAR WEIGHT: 132.20228
SMILES: C1C=CC2C1C3CC2C=C3
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Product OPENEYE NAME: 3-methylpentan-3-ol
CAS Name: 3-methyl-3-pentanol
IUPAC NAME: 3-methylpentan-3-ol
SYSTEMATIC NAME: 3-methylpentan-3-ol
MOLECULAR FORMULA: C6H14O
MOLECULAR WEIGHT: 102.17476
SMILES: CCC(C)(CC)O
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Product OPENEYE NAME: 3-methylpent-1-yn-3-ol
CAS Name: 3-methyl-1-pentyn-3-ol
IUPAC NAME: 3-methylpent-1-yn-3-ol
SYSTEMATIC NAME: 3-methylpent-1-yn-3-ol
MOLECULAR FORMULA: C6H10O
MOLECULAR WEIGHT: 98.143
SMILES: CCC(C)(C#C)O
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Product OPENEYE NAME: 2,2-dimethoxypropane
CAS Name: 2,2-dimethoxypropane
IUPAC NAME: 2,2-dimethoxypropane
SYSTEMATIC NAME: 2,2-dimethoxypropane
MOLECULAR FORMULA: C5H12O2
MOLECULAR WEIGHT: 104.14758
SMILES: CC(C)(OC)OC
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Product OPENEYE NAME: 1-vinylsulfonylethylene
CAS Name: 1-ethenylsulfonylethene
IUPAC NAME: 1-ethenylsulfonylethene
SYSTEMATIC NAME: 1-ethenylsulfonylethene
MOLECULAR FORMULA: C4H6O2S
MOLECULAR WEIGHT: 118.15424
SMILES: C=CS(=O)(=O)C=C
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Product OPENEYE NAME: dimethyl sulfate
CAS Name: sulfuric acid dimethyl ester
IUPAC NAME: dimethyl sulfate
SYSTEMATIC NAME: dimethyl sulfate
MOLECULAR FORMULA: C2H6O4S
MOLECULAR WEIGHT: 126.13164
SMILES: COS(=O)(=O)OC
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Product OPENEYE NAME: 2,5-dihydrothiophene 1,1-dioxide
CAS Name: 2,5-dihydrothiophene 1,1-dioxide
IUPAC NAME: 2,5-dihydrothiophene 1,1-dioxide
SYSTEMATIC NAME: 2,5-dihydrothiophene 1,1-dioxide
MOLECULAR FORMULA: C4H6O2S
MOLECULAR WEIGHT: 118.15424
SMILES: C1C=CCS1(=O)=O
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Product OPENEYE NAME: [dimethylamino(ethoxy)phosphoryl]formonitrile
CAS Name: [dimethylamino(ethoxy)phosphoryl]formonitrile
IUPAC NAME: [dimethylamino(ethoxy)phosphoryl]formonitrile
SYSTEMATIC NAME: [dimethylamino(ethoxy)phosphoryl]methanenitrile
MOLECULAR FORMULA: C5H11N2O2P
MOLECULAR WEIGHT: 162.126801
SMILES: CCOP(=O)(C#N)N(C)C
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Product OPENEYE NAME: ethyl 3-methyl-3-phenyl-oxirane-2-carboxylate
CAS Name: 3-methyl-3-phenyl-2-oxiranecarboxylic acid ethyl ester
IUPAC NAME: ethyl 3-methyl-3-phenyloxirane-2-carboxylate
SYSTEMATIC NAME: ethyl 3-methyl-3-phenyl-oxirane-2-carboxylate
MOLECULAR FORMULA: C12H14O3
MOLECULAR WEIGHT: 206.23776
SMILES: CCOC(=O)C1C(O1)(C)C2=CC=CC=C2
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Product OPENEYE NAME: 2-(hydroxymethyl)-2-methyl-propane-1,3-diol
CAS Name: 2-(hydroxymethyl)-2-methylpropane-1,3-diol
IUPAC NAME: 2-(hydroxymethyl)-2-methylpropane-1,3-diol
SYSTEMATIC NAME: 2-(hydroxymethyl)-2-methyl-propane-1,3-diol
MOLECULAR FORMULA: C5H12O3
MOLECULAR WEIGHT: 120.14698
SMILES: CC(CO)(CO)CO
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Product OPENEYE NAME: 2-amino-2-(hydroxymethyl)propane-1,3-diol
CAS Name: 2-amino-2-(hydroxymethyl)propane-1,3-diol
IUPAC NAME: 2-amino-2-(hydroxymethyl)propane-1,3-diol
SYSTEMATIC NAME: 2-azanyl-2-(hydroxymethyl)propane-1,3-diol
MOLECULAR FORMULA: C4H11NO3
MOLECULAR WEIGHT: 121.13504
SMILES: C(C(CO)(CO)N)O
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Product OPENEYE NAME: triethyl 2-acetoxypropane-1,2,3-tricarboxylate
CAS Name: 2-acetyloxypropane-1,2,3-tricarboxylic acid triethyl ester
IUPAC NAME: triethyl 2-acetyloxypropane-1,2,3-tricarboxylate
SYSTEMATIC NAME: triethyl 2-acetyloxypropane-1,2,3-tricarboxylate
MOLECULAR FORMULA: C14H22O8
MOLECULAR WEIGHT: 318.31968
SMILES: CCOC(=O)CC(CC(=O)OCC)(C(=O)OCC)OC(=O)C
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Product OPENEYE NAME: tributyl 2-acetoxypropane-1,2,3-tricarboxylate
CAS Name: 2-acetyloxypropane-1,2,3-tricarboxylic acid tributyl ester
IUPAC NAME: tributyl 2-acetyloxypropane-1,2,3-tricarboxylate
SYSTEMATIC NAME: tributyl 2-acetyloxypropane-1,2,3-tricarboxylate
MOLECULAR FORMULA: C20H34O8
MOLECULAR WEIGHT: 402.47916
SMILES: CCCCOC(=O)CC(CC(=O)OCCCC)(C(=O)OCCCC)OC(=O)C
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Product OPENEYE NAME: triethyl 2-hydroxypropane-1,2,3-tricarboxylate
CAS Name: 2-hydroxypropane-1,2,3-tricarboxylic acid triethyl ester
IUPAC NAME: triethyl 2-hydroxypropane-1,2,3-tricarboxylate
SYSTEMATIC NAME: triethyl 2-oxidanylpropane-1,2,3-tricarboxylate
MOLECULAR FORMULA: C12H20O7
MOLECULAR WEIGHT: 276.283
SMILES: CCOC(=O)CC(CC(=O)OCC)(C(=O)OCC)O
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Product OPENEYE NAME: tributyl 2-hydroxypropane-1,2,3-tricarboxylate
CAS Name: 2-hydroxypropane-1,2,3-tricarboxylic acid tributyl ester
IUPAC NAME: tributyl 2-hydroxypropane-1,2,3-tricarboxylate
SYSTEMATIC NAME: tributyl 2-oxidanylpropane-1,2,3-tricarboxylate
MOLECULAR FORMULA: C18H32O7
MOLECULAR WEIGHT: 360.44248
SMILES: CCCCOC(=O)CC(CC(=O)OCCCC)(C(=O)OCCCC)O
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Product OPENEYE NAME: (3R,5R)-1,3,4,5-tetrahydroxycyclohexanecarboxylic acid
CAS Name: (3R,5R)-1,3,4,5-tetrahydroxy-1-cyclohexanecarboxylic acid
IUPAC NAME: (3R,5R)-1,3,4,5-tetrahydroxycyclohexane-1-carboxylic acid
SYSTEMATIC NAME: (3R,5R)-1,3,4,5-tetrakis(oxidanyl)cyclohexane-1-carboxylic acid
MOLECULAR FORMULA: C7H12O6
MOLECULAR WEIGHT: 192.16658
SMILES: C1[C@H](C([C@@H](CC1(C(=O)O)O)O)O)O
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