CAS RN: 19163-24-7
CAS Name: 5-phenyl-2-thiophenecarboxylate
OPENEYE Name: 5-phenylthiophene-2-carboxylate
IUPAC Name: 5-phenylthiophene-2-carboxylate
SYSTEMATIC NAME: 5-phenylthiophene-2-carboxylate
MOLECULAR FORMULA: C11H7O2S-
MOLECULAR WEIGHT: 203.23708
SMILES: C1=CC=C(C=C1)C2=CC=C(S2)C(=O)[O-]
Structure:
CAS RN: 19155-88-5
CAS Name: 2,1,3-benzoxadiazole-5-carboxylate
OPENEYE Name: 2,1,3-benzoxadiazole-5-carboxylate
IUPAC Name: 2,1,3-benzoxadiazole-5-carboxylate
SYSTEMATIC NAME: 2,1,3-benzoxadiazole-5-carboxylate
MOLECULAR FORMULA: C7H3N2O3-
MOLECULAR WEIGHT: 163.11032
SMILES: C1=CC2=NON=C2C=C1C(=O)[O-]
Structure:
CAS RN: 10314-98-4
CAS Name: 1-phenylmethoxycarbonyl-4-piperidinecarboxylate
OPENEYE Name: 1-benzyloxycarbonylpiperidine-4-carboxylate
IUPAC Name: 1-phenylmethoxycarbonylpiperidine-4-carboxylate
SYSTEMATIC NAME: 1-phenylmethoxycarbonylpiperidine-4-carboxylate
MOLECULAR FORMULA: C14H16NO4-
MOLECULAR WEIGHT: 262.28114
SMILES: C1CN(CCC1C(=O)[O-])C(=O)OCC2=CC=CC=C2
Structure:
CAS RN: 42182-65-0
CAS Name: 1,3-benzothiazol-2-ylmethylammonium
OPENEYE Name: 1,3-benzothiazol-2-ylmethylammonium
IUPAC Name: 1,3-benzothiazol-2-ylmethylazanium
SYSTEMATIC NAME: 1,3-benzothiazol-2-ylmethylazanium
MOLECULAR FORMULA: C8H9N2S+
MOLECULAR WEIGHT: 165.23546
SMILES: C1=CC=C2C(=C1)N=C(S2)C[NH3+]
Structure:
CAS RN: 53137-27-2
CAS Name: 2,4-dimethyl-5-thiazolecarboxylate
OPENEYE Name: 2,4-dimethylthiazole-5-carboxylate
IUPAC Name: 2,4-dimethyl-1,3-thiazole-5-carboxylate
SYSTEMATIC NAME: 2,4-dimethyl-1,3-thiazole-5-carboxylate
MOLECULAR FORMULA: C6H6NO2S-
MOLECULAR WEIGHT: 156.18234
SMILES: CC1=C(SC(=N1)C)C(=O)[O-]
Structure:
CAS RN: 207399-25-5
CAS Name: 3-isoquinolinecarboxylate
OPENEYE Name: isoquinoline-3-carboxylate
IUPAC Name: isoquinoline-3-carboxylate
SYSTEMATIC NAME: isoquinoline-3-carboxylate
MOLECULAR FORMULA: C10H6NO2-
MOLECULAR WEIGHT: 172.16014
SMILES: C1=CC=C2C=NC(=CC2=C1)C(=O)[O-]
Structure:
CAS RN: 16115-80-3
CAS Name: (1,3-dimethoxy-1,3-dioxopropan-2-yl)ammonium
OPENEYE Name: (2-methoxy-1-methoxycarbonyl-2-oxo-ethyl)ammonium
IUPAC Name: (1,3-dimethoxy-1,3-dioxopropan-2-yl)azanium
SYSTEMATIC NAME: [1,3-dimethoxy-1,3-bis(oxidanylidene)propan-2-yl]azanium
MOLECULAR FORMULA: C5H10NO4+
MOLECULAR WEIGHT: 148.1372
SMILES: COC(=O)C(C(=O)OC)[NH3+]
Structure:
CAS RN: 63027-88-3
CAS Name: (2S)-2,3,3-trichlorooxane
OPENEYE Name: (2S)-2,3,3-trichlorotetrahydropyran
IUPAC Name: (2S)-2,3,3-trichlorooxane
SYSTEMATIC NAME: (2S)-2,3,3-tris(chloranyl)oxane
MOLECULAR FORMULA: C5H7Cl3O
MOLECULAR WEIGHT: 189.46748
SMILES: C1CC([C@@H](OC1)Cl)(Cl)Cl
Structure:
CAS RN: 63027-88-3
CAS Name: (2R)-2,3,3-trichlorooxane
OPENEYE Name: (2R)-2,3,3-trichlorotetrahydropyran
IUPAC Name: (2R)-2,3,3-trichlorooxane
SYSTEMATIC NAME: (2R)-2,3,3-tris(chloranyl)oxane
MOLECULAR FORMULA: C5H7Cl3O
MOLECULAR WEIGHT: 189.46748
SMILES: C1CC([C@H](OC1)Cl)(Cl)Cl
Structure:
CAS RN: 94674-88-1
CAS Name: (3R)-3-chloro-1-methyl-3-(phenylmethyl)quinoline-2,4-dione
OPENEYE Name: (3R)-3-benzyl-3-chloro-1-methyl-quinoline-2,4-dione
IUPAC Name: (3R)-3-benzyl-3-chloro-1-methylquinoline-2,4-dione
SYSTEMATIC NAME: (3R)-3-chloranyl-1-methyl-3-(phenylmethyl)quinoline-2,4-dione
MOLECULAR FORMULA: C17H14ClNO2
MOLECULAR WEIGHT: 299.75156
SMILES: CN1C2=CC=CC=C2C(=O)[C@@](C1=O)(CC3=CC=CC=C3)Cl
Structure:
CAS RN: 94674-88-1
CAS Name: (3S)-3-chloro-1-methyl-3-(phenylmethyl)quinoline-2,4-dione
OPENEYE Name: (3S)-3-benzyl-3-chloro-1-methyl-quinoline-2,4-dione
IUPAC Name: (3S)-3-benzyl-3-chloro-1-methylquinoline-2,4-dione
SYSTEMATIC NAME: (3S)-3-chloranyl-1-methyl-3-(phenylmethyl)quinoline-2,4-dione
MOLECULAR FORMULA: C17H14ClNO2
MOLECULAR WEIGHT: 299.75156
SMILES: CN1C2=CC=CC=C2C(=O)[C@](C1=O)(CC3=CC=CC=C3)Cl
Structure:
CAS RN: 320-98-9
CAS Name: 5-fluoro-2-nitrobenzoate
OPENEYE Name: 5-fluoro-2-nitro-benzoate
IUPAC Name: 5-fluoro-2-nitrobenzoate
SYSTEMATIC NAME: 5-fluoranyl-2-nitro-benzoate
MOLECULAR FORMULA: C7H3FNO4-
MOLECULAR WEIGHT: 184.101423
SMILES: C1=CC(=C(C=C1F)C(=O)[O-])[N+](=O)[O-]
Structure:
CAS RN: 115651-29-1
CAS Name: 5-acetyl-2-amino-4-hydroxybenzoate
OPENEYE Name: 5-acetyl-2-amino-4-hydroxy-benzoate
IUPAC Name: 5-acetyl-2-amino-4-hydroxybenzoate
SYSTEMATIC NAME: 2-azanyl-5-ethanoyl-4-oxidanyl-benzoate
MOLECULAR FORMULA: C9H8NO4-
MOLECULAR WEIGHT: 194.16412
SMILES: CC(=O)C1=C(C=C(C(=C1)C(=O)[O-])N)O
Structure:
CAS RN: 154-41-6
CAS Name: [(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]ammonium
OPENEYE Name: [(1S,2R)-2-hydroxy-1-methyl-2-phenyl-ethyl]ammonium
IUPAC Name: [(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]azanium
SYSTEMATIC NAME: [(1R,2S)-1-oxidanyl-1-phenyl-propan-2-yl]azanium
MOLECULAR FORMULA: C9H14NO+
MOLECULAR WEIGHT: 152.21356
SMILES: C[C@@H]([C@@H](C1=CC=CC=C1)O)[NH3+]
Structure:
CAS RN: 22415-59-4
CAS Name: [(2R)-2-oxolanyl]methanol
OPENEYE Name: [(2R)-tetrahydrofuran-2-yl]methanol
IUPAC Name: [(2R)-oxolan-2-yl]methanol
SYSTEMATIC NAME: [(2R)-oxolan-2-yl]methanol
MOLECULAR FORMULA: C5H10O2
MOLECULAR WEIGHT: 102.1317
SMILES: C1C[C@@H](OC1)CO
Structure:
CAS RN: 4425-73-4
CAS Name: 2-(9-fluorenylidene)acetate
OPENEYE Name: 2-fluoren-9-ylideneacetate
IUPAC Name: 2-fluoren-9-ylideneacetate
SYSTEMATIC NAME: 2-fluoren-9-ylideneethanoate
MOLECULAR FORMULA: C15H9O2-
MOLECULAR WEIGHT: 221.23076
SMILES: C1=CC=C2C(=C1)C3=CC=CC=C3C2=CC(=O)[O-]
Structure:
CAS RN: 28026-96-2
CAS Name: 3,5-dihydroxy-4-methylbenzoate
OPENEYE Name: 3,5-dihydroxy-4-methyl-benzoate
IUPAC Name: 3,5-dihydroxy-4-methylbenzoate
SYSTEMATIC NAME: 4-methyl-3,5-bis(oxidanyl)benzoate
MOLECULAR FORMULA: C8H7O4-
MOLECULAR WEIGHT: 167.13878
SMILES: CC1=C(C=C(C=C1O)C(=O)[O-])O
Structure:
CAS RN: 69954-66-1
CAS Name: 4-(dimethylammonio)butanoate
OPENEYE Name: 4-(dimethylammonio)butanoate
IUPAC Name: 4-(dimethylazaniumyl)butanoate
SYSTEMATIC NAME: 4-(dimethylazaniumyl)butanoate
MOLECULAR FORMULA: C6H13NO2
MOLECULAR WEIGHT: 131.17292
SMILES: C[NH+](C)CCCC(=O)[O-]
Structure:
CAS RN: 6622-91-9
CAS Name: 2-pyridin-4-ylacetate
OPENEYE Name: 2-(4-pyridyl)acetate
IUPAC Name: 2-pyridin-4-ylacetate
SYSTEMATIC NAME: 2-pyridin-4-ylethanoate
MOLECULAR FORMULA: C7H6NO2-
MOLECULAR WEIGHT: 136.12804
SMILES: C1=CN=CC=C1CC(=O)[O-]
Structure:
CAS RN: 19806-17-8
CAS Name: 2-[3-(carboxylatomethyl)phenyl]acetate
OPENEYE Name: 2-[3-(carboxylatomethyl)phenyl]acetate
IUPAC Name: 2-[3-(carboxylatomethyl)phenyl]acetate
SYSTEMATIC NAME: 2-[3-(2-oxidanidyl-2-oxidanylidene-ethyl)phenyl]ethanoate
MOLECULAR FORMULA: C10H8O4-2
MOLECULAR WEIGHT: 192.16812
SMILES: C1=CC(=CC(=C1)CC(=O)[O-])CC(=O)[O-]
Structure:
CAS RN: 19621-92-2
CAS Name: 6-oxo-1H-pyridine-2-carboxylate
OPENEYE Name: 6-oxo-1H-pyridine-2-carboxylate
IUPAC Name: 6-oxo-1H-pyridine-2-carboxylate
SYSTEMATIC NAME: 6-oxidanylidene-1H-pyridine-2-carboxylate
MOLECULAR FORMULA: C6H4NO3-
MOLECULAR WEIGHT: 138.10086
SMILES: C1=CC(=O)NC(=C1)C(=O)[O-]
Structure:
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