Product OPENEYE NAME: 2-methylaniline; 1-methylindole
CAS Name: 2-methylaniline; 1-methylindole
IUPAC NAME: 2-methylaniline; 1-methylindole
SYSTEMATIC NAME: 2-methylaniline; 1-methylindole
MOLECULAR FORMULA: C16H18N2
MOLECULAR WEIGHT: 238.32752
SMILES: CC1=CC=CC=C1N.CN1C=CC2=CC=CC=C21
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Product OPENEYE NAME: indole; 2-methylaniline
CAS Name: 1H-indole; 2-methylaniline
IUPAC NAME: 1H-indole; 2-methylaniline
SYSTEMATIC NAME: 1H-indole; 2-methylaniline
MOLECULAR FORMULA: C15H16N2
MOLECULAR WEIGHT: 224.30094
SMILES: CC1=CC=CC=C1N.C1=CC=C2C(=C1)C=CN2
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Product OPENEYE NAME: indole; 3-methylaniline
CAS Name: 1H-indole; 3-methylaniline
IUPAC NAME: 1H-indole; 3-methylaniline
SYSTEMATIC NAME: 1H-indole; 3-methylaniline
MOLECULAR FORMULA: C15H16N2
MOLECULAR WEIGHT: 224.30094
SMILES: CC1=CC(=CC=C1)N.C1=CC=C2C(=C1)C=CN2
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Product OPENEYE NAME: 1,2-dimethylindole; 4-methylaniline
CAS Name: 1,2-dimethylindole; 4-methylaniline
IUPAC NAME: 1,2-dimethylindole; 4-methylaniline
SYSTEMATIC NAME: 1,2-dimethylindole; 4-methylaniline
MOLECULAR FORMULA: C17H20N2
MOLECULAR WEIGHT: 252.3541
SMILES: CC1=CC=C(C=C1)N.CC1=CC2=CC=CC=C2N1C
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Product OPENEYE NAME: 1,3,6-trimethylindole
CAS Name: 1,3,6-trimethylindole
IUPAC NAME: 1,3,6-trimethylindole
SYSTEMATIC NAME: 1,3,6-trimethylindole
MOLECULAR FORMULA: C11H13N
MOLECULAR WEIGHT: 159.22762
SMILES: CC1=CC2=C(C=C1)C(=CN2C)C
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Product OPENEYE NAME: 1-ethyl-3,5-dimethyl-indole
CAS Name: 1-ethyl-3,5-dimethylindole
IUPAC NAME: 1-ethyl-3,5-dimethylindole
SYSTEMATIC NAME: 1-ethyl-3,5-dimethyl-indole
MOLECULAR FORMULA: C12H15N
MOLECULAR WEIGHT: 173.2542
SMILES: CCN1C=C(C2=C1C=CC(=C2)C)C
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Product OPENEYE NAME: 3-methylaniline; 1-methylindole
CAS Name: 3-methylaniline; 1-methylindole
IUPAC NAME: 3-methylaniline; 1-methylindole
SYSTEMATIC NAME: 3-methylaniline; 1-methylindole
MOLECULAR FORMULA: C16H18N2
MOLECULAR WEIGHT: 238.32752
SMILES: CC1=CC(=CC=C1)N.CN1C=CC2=CC=CC=C21
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Product OPENEYE NAME: 3-methyl-4-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one
CAS Name: 3-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyrrolidinone
IUPAC NAME: 3-methyl-4-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one
SYSTEMATIC NAME: 3-methyl-4-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one
MOLECULAR FORMULA: C12H12F3NO
MOLECULAR WEIGHT: 243.22499
SMILES: CC1C(CNC1=O)C2=CC=C(C=C2)C(F)(F)F
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Product OPENEYE NAME: 4-(4-aminophenyl)-1,5-dimethyl-pyrrolidin-2-one
CAS Name: 4-(4-aminophenyl)-1,5-dimethyl-2-pyrrolidinone
IUPAC NAME: 4-(4-aminophenyl)-1,5-dimethylpyrrolidin-2-one
SYSTEMATIC NAME: 4-(4-aminophenyl)-1,5-dimethyl-pyrrolidin-2-one
MOLECULAR FORMULA: C12H16N2O
MOLECULAR WEIGHT: 204.26824
SMILES: CC1C(CC(=O)N1C)C2=CC=C(C=C2)N
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Product OPENEYE NAME: 3-hydroxy-3-methoxycarbonyl-2-methylsulfonyloxy-pentanedioic acid
CAS Name: 3-hydroxy-3-methoxycarbonyl-2-methylsulfonyloxypentanedioic acid
IUPAC NAME: 3-hydroxy-3-methoxycarbonyl-2-methylsulfonyloxypentanedioic acid
SYSTEMATIC NAME: 3-methoxycarbonyl-2-methylsulfonyloxy-3-oxidanyl-pentanedioic acid
MOLECULAR FORMULA: C8H12O10S
MOLECULAR WEIGHT: 300.23988
SMILES: COC(=O)C(CC(=O)O)(C(C(=O)O)OS(=O)(=O)C)O
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Product OPENEYE NAME: 2-hydroxy-1-methylsulfonyloxy-propane-1,2,3-tricarboxylic acid
CAS Name: 2-hydroxy-1-methylsulfonyloxypropane-1,2,3-tricarboxylic acid
IUPAC NAME: 2-hydroxy-1-methylsulfonyloxypropane-1,2,3-tricarboxylic acid
SYSTEMATIC NAME: 1-methylsulfonyloxy-2-oxidanyl-propane-1,2,3-tricarboxylic acid
MOLECULAR FORMULA: C7H10O10S
MOLECULAR WEIGHT: 286.2133
SMILES: CS(=O)(=O)OC(C(=O)O)C(CC(=O)O)(C(=O)O)O
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Product OPENEYE NAME: trimethyl 1-chloro-2-hydroxy-propane-1,2,3-tricarboxylate
CAS Name: 1-chloro-2-hydroxypropane-1,2,3-tricarboxylic acid trimethyl ester
IUPAC NAME: trimethyl 1-chloro-2-hydroxypropane-1,2,3-tricarboxylate
SYSTEMATIC NAME: trimethyl 1-chloranyl-2-oxidanyl-propane-1,2,3-tricarboxylate
MOLECULAR FORMULA: C9H13ClO7
MOLECULAR WEIGHT: 268.64832
SMILES: COC(=O)CC(C(C(=O)OC)Cl)(C(=O)OC)O
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Product OPENEYE NAME: 2H-oxete-2,3,4-tricarboxylic acid
CAS Name: 2H-oxete-2,3,4-tricarboxylic acid
IUPAC NAME: 2H-oxete-2,3,4-tricarboxylic acid
SYSTEMATIC NAME: 2H-oxete-2,3,4-tricarboxylic acid
MOLECULAR FORMULA: C6H4O7
MOLECULAR WEIGHT: 188.09176
SMILES: C1(C(=C(O1)C(=O)O)C(=O)O)C(=O)O
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