CAS RN: 101366-61-4
CAS Name: 3-[4-(hydroxymethyl)phenoxy]propanoate
OPENEYE Name: 3-[4-(hydroxymethyl)phenoxy]propanoate
IUPAC Name: 3-[4-(hydroxymethyl)phenoxy]propanoate
SYSTEMATIC NAME: 3-[4-(hydroxymethyl)phenoxy]propanoate
MOLECULAR FORMULA: C10H11O4-
MOLECULAR WEIGHT: 195.19194
SMILES: C1=CC(=CC=C1CO)OCCC(=O)[O-]
Structure:
CAS RN: 2577-46-0
CAS Name: [(2S,3S)-1-methoxy-3-methyl-1-oxopentan-2-yl]ammonium
OPENEYE Name: [(1S,2S)-1-methoxycarbonyl-2-methyl-butyl]ammonium
IUPAC Name: [(2S,3S)-1-methoxy-3-methyl-1-oxopentan-2-yl]azanium
SYSTEMATIC NAME: [(2S,3S)-1-methoxy-3-methyl-1-oxidanylidene-pentan-2-yl]azanium
MOLECULAR FORMULA: C7H16NO2+
MOLECULAR WEIGHT: 146.20744
SMILES: CC[C@H](C)[C@@H](C(=O)OC)[NH3+]
Structure:
CAS RN: 19728-63-3
CAS Name: (2S,3R)-3-hydroxy-2-(phenylmethoxycarbonylamino)butanoate
OPENEYE Name: (2S,3R)-2-(benzyloxycarbonylamino)-3-hydroxy-butanoate
IUPAC Name: (2S,3R)-3-hydroxy-2-(phenylmethoxycarbonylamino)butanoate
SYSTEMATIC NAME: (2S,3R)-3-oxidanyl-2-(phenylmethoxycarbonylamino)butanoate
MOLECULAR FORMULA: C12H14NO5-
MOLECULAR WEIGHT: 252.24326
SMILES: C[C@H]([C@@H](C(=O)[O-])NC(=O)OCC1=CC=CC=C1)O
Structure:
CAS RN: 27452-00-2
CAS Name: (E)-3-(6-bromo-1,3-benzodioxol-5-yl)-2-propenoate
OPENEYE Name: (E)-3-(6-bromo-1,3-benzodioxol-5-yl)prop-2-enoate
IUPAC Name: (E)-3-(6-bromo-1,3-benzodioxol-5-yl)prop-2-enoate
SYSTEMATIC NAME: (E)-3-(6-bromanyl-1,3-benzodioxol-5-yl)prop-2-enoate
MOLECULAR FORMULA: C10H6BrO4-
MOLECULAR WEIGHT: 270.05624
SMILES: C1OC2=C(O1)C=C(C(=C2)/C=C/C(=O)[O-])Br
Structure:
CAS RN: 58880-37-8
CAS Name: 1-(4-chlorophenyl)-1-cyclohexanecarboxylate
OPENEYE Name: 1-(4-chlorophenyl)cyclohexanecarboxylate
IUPAC Name: 1-(4-chlorophenyl)cyclohexane-1-carboxylate
SYSTEMATIC NAME: 1-(4-chlorophenyl)cyclohexane-1-carboxylate
MOLECULAR FORMULA: C13H14ClO2-
MOLECULAR WEIGHT: 237.70206
SMILES: C1CCC(CC1)(C2=CC=C(C=C2)Cl)C(=O)[O-]
Structure:
CAS RN: 6258-30-6
CAS Name: 2-(4-chlorophenyl)-2-methylpropanoate
OPENEYE Name: 2-(4-chlorophenyl)-2-methyl-propanoate
IUPAC Name: 2-(4-chlorophenyl)-2-methylpropanoate
SYSTEMATIC NAME: 2-(4-chlorophenyl)-2-methyl-propanoate
MOLECULAR FORMULA: C10H10ClO2-
MOLECULAR WEIGHT: 197.6382
SMILES: CC(C)(C1=CC=C(C=C1)Cl)C(=O)[O-]
Structure:
CAS RN: 16179-97-8
CAS Name: 2-(2-pyridinyl)acetate
OPENEYE Name: 2-(2-pyridyl)acetate
IUPAC Name: 2-pyridin-2-ylacetate
SYSTEMATIC NAME: 2-pyridin-2-ylethanoate
MOLECULAR FORMULA: C7H6NO2-
MOLECULAR WEIGHT: 136.12804
SMILES: C1=CC=NC(=C1)CC(=O)[O-]
Structure:
CAS RN: 99-58-1
CAS Name: 3-bromo-4-methoxybenzoate
OPENEYE Name: 3-bromo-4-methoxy-benzoate
IUPAC Name: 3-bromo-4-methoxybenzoate
SYSTEMATIC NAME: 3-bromanyl-4-methoxy-benzoate
MOLECULAR FORMULA: C8H6BrO3-
MOLECULAR WEIGHT: 230.03544
SMILES: COC1=C(C=C(C=C1)C(=O)[O-])Br
Structure:
CAS RN: 100-31-2
CAS Name: 4-[(E)-2-(4-carboxylatophenyl)ethenyl]benzoate
OPENEYE Name: 4-[(E)-2-(4-carboxylatophenyl)vinyl]benzoate
IUPAC Name: 4-[(E)-2-(4-carboxylatophenyl)ethenyl]benzoate
SYSTEMATIC NAME: 4-[(E)-2-(4-carboxylatophenyl)ethenyl]benzoate
MOLECULAR FORMULA: C16H10O4-2
MOLECULAR WEIGHT: 266.2482
SMILES: C1=CC(=CC=C1/C=C/C2=CC=C(C=C2)C(=O)[O-])C(=O)[O-]
Structure:
CAS RN: 330-17-6
CAS Name: 4-(trifluoromethylthio)benzoate
OPENEYE Name: 4-(trifluoromethylsulfanyl)benzoate
IUPAC Name: 4-(trifluoromethylsulfanyl)benzoate
SYSTEMATIC NAME: 4-(trifluoromethylsulfanyl)benzoate
MOLECULAR FORMULA: C8H4F3O2S-
MOLECULAR WEIGHT: 221.17637
SMILES: C1=CC(=CC=C1C(=O)[O-])SC(F)(F)F
Structure:
CAS RN: 85-34-7
CAS Name: 2-(2,3,6-trichlorophenyl)acetate
OPENEYE Name: 2-(2,3,6-trichlorophenyl)acetate
IUPAC Name: 2-(2,3,6-trichlorophenyl)acetate
SYSTEMATIC NAME: 2-[2,3,6-tris(chloranyl)phenyl]ethanoate
MOLECULAR FORMULA: C8H4Cl3O2-
MOLECULAR WEIGHT: 238.47516
SMILES: C1=CC(=C(C(=C1Cl)CC(=O)[O-])Cl)Cl
Structure:
CAS RN: 133220-86-7
CAS Name: (E)-3-(2-chloro-4-fluorophenyl)-2-propenoate
OPENEYE Name: (E)-3-(2-chloro-4-fluoro-phenyl)prop-2-enoate
IUPAC Name: (E)-3-(2-chloro-4-fluorophenyl)prop-2-enoate
SYSTEMATIC NAME: (E)-3-(2-chloranyl-4-fluoranyl-phenyl)prop-2-enoate
MOLECULAR FORMULA: C9H5ClFO2-
MOLECULAR WEIGHT: 199.586203
SMILES: C1=CC(=C(C=C1F)Cl)/C=C/C(=O)[O-]
Structure:
CAS RN: 188815-32-9
CAS Name: 3-bromo-5-iodobenzoate
OPENEYE Name: 3-bromo-5-iodo-benzoate
IUPAC Name: 3-bromo-5-iodobenzoate
SYSTEMATIC NAME: 3-bromanyl-5-iodanyl-benzoate
MOLECULAR FORMULA: C7H3BrIO2-
MOLECULAR WEIGHT: 325.90599
SMILES: C1=C(C=C(C=C1Br)I)C(=O)[O-]
Structure:
CAS RN: 328-80-3
CAS Name: 3-nitro-5-(trifluoromethyl)benzoate
OPENEYE Name: 3-nitro-5-(trifluoromethyl)benzoate
IUPAC Name: 3-nitro-5-(trifluoromethyl)benzoate
SYSTEMATIC NAME: 3-nitro-5-(trifluoromethyl)benzoate
MOLECULAR FORMULA: C8H3F3NO4-
MOLECULAR WEIGHT: 234.10893
SMILES: C1=C(C=C(C=C1C(F)(F)F)[N+](=O)[O-])C(=O)[O-]
Structure:
CAS RN: 49623-71-4
CAS Name: 2,4,6-tri(propan-2-yl)benzoate
OPENEYE Name: 2,4,6-triisopropylbenzoate
IUPAC Name: 2,4,6-tri(propan-2-yl)benzoate
SYSTEMATIC NAME: 2,4,6-tri(propan-2-yl)benzoate
MOLECULAR FORMULA: C16H23O2-
MOLECULAR WEIGHT: 247.35262
SMILES: CC(C)C1=CC(=C(C(=C1)C(C)C)C(=O)[O-])C(C)C
Structure:
CAS RN: 206559-61-7
CAS Name: 7-ethoxy-2-benzofurancarboxylate
OPENEYE Name: 7-ethoxybenzofuran-2-carboxylate
IUPAC Name: 7-ethoxy-1-benzofuran-2-carboxylate
SYSTEMATIC NAME: 7-ethoxy-1-benzofuran-2-carboxylate
MOLECULAR FORMULA: C11H9O4-
MOLECULAR WEIGHT: 205.18676
SMILES: CCOC1=CC=CC2=C1OC(=C2)C(=O)[O-]
Structure:
CAS RN: 104-18-7
CAS Name: 2-[(4-aminophenyl)thio]acetate
OPENEYE Name: 2-(4-aminophenyl)sulfanylacetate
IUPAC Name: 2-(4-aminophenyl)sulfanylacetate
SYSTEMATIC NAME: 2-(4-aminophenyl)sulfanylethanoate
MOLECULAR FORMULA: C8H8NO2S-
MOLECULAR WEIGHT: 182.21962
SMILES: C1=CC(=CC=C1N)SCC(=O)[O-]
Structure:
CAS RN: 61948-85-4
CAS Name: 2-amino-3,4,5-trimethoxybenzoate
OPENEYE Name: 2-amino-3,4,5-trimethoxy-benzoate
IUPAC Name: 2-amino-3,4,5-trimethoxybenzoate
SYSTEMATIC NAME: 2-azanyl-3,4,5-trimethoxy-benzoate
MOLECULAR FORMULA: C10H12NO5-
MOLECULAR WEIGHT: 226.20598
SMILES: COC1=C(C(=C(C(=C1)C(=O)[O-])N)OC)OC
Structure:
CAS RN: 1583-67-1
CAS Name: 3-fluorophthalate
OPENEYE Name: 3-fluorophthalate
IUPAC Name: 3-fluorophthalate
SYSTEMATIC NAME: 3-fluoranylphthalate
MOLECULAR FORMULA: C8H3FO4-2
MOLECULAR WEIGHT: 182.105423
SMILES: C1=CC(=C(C(=C1)F)C(=O)[O-])C(=O)[O-]
Structure:
CAS RN: 458-09-3
CAS Name: 2-(3-fluoro-4-hydroxyphenyl)acetate
OPENEYE Name: 2-(3-fluoro-4-hydroxy-phenyl)acetate
IUPAC Name: 2-(3-fluoro-4-hydroxyphenyl)acetate
SYSTEMATIC NAME: 2-(3-fluoranyl-4-oxidanyl-phenyl)ethanoate
MOLECULAR FORMULA: C8H6FO3-
MOLECULAR WEIGHT: 169.129843
SMILES: C1=CC(=C(C=C1CC(=O)[O-])F)O
Structure:
CAS RN: 13402-96-5
CAS Name: 2-[2,4-bis(2-methylbutan-2-yl)phenoxy]acetate
OPENEYE Name: 2-[2,4-bis(1,1-dimethylpropyl)phenoxy]acetate
IUPAC Name: 2-[2,4-bis(2-methylbutan-2-yl)phenoxy]acetate
SYSTEMATIC NAME: 2-[2,4-bis(2-methylbutan-2-yl)phenoxy]ethanoate
MOLECULAR FORMULA: C18H27O3-
MOLECULAR WEIGHT: 291.40518
SMILES: CCC(C)(C)C1=CC(=C(C=C1)OCC(=O)[O-])C(C)(C)CC
Structure:
CAS RN: 19360-67-9
CAS Name: 4-(carboxylatomethoxy)benzoate
OPENEYE Name: 4-(carboxylatomethoxy)benzoate
IUPAC Name: 4-(carboxylatomethoxy)benzoate
SYSTEMATIC NAME: 4-(2-oxidanidyl-2-oxidanylidene-ethoxy)benzoate
MOLECULAR FORMULA: C9H6O5-2
MOLECULAR WEIGHT: 194.14094
SMILES: C1=CC(=CC=C1C(=O)[O-])OCC(=O)[O-]
Structure:
CAS RN: 57479-70-6
CAS Name: 4-chloro-2-methoxybenzoate
OPENEYE Name: 4-chloro-2-methoxy-benzoate
IUPAC Name: 4-chloro-2-methoxybenzoate
SYSTEMATIC NAME: 4-chloranyl-2-methoxy-benzoate
MOLECULAR FORMULA: C8H6ClO3-
MOLECULAR WEIGHT: 185.58444
SMILES: COC1=C(C=CC(=C1)Cl)C(=O)[O-]
Structure:
CAS RN: 702-96-5
CAS Name: (3S)-2,2,5,5-tetramethyl-3-pyrrolidin-1-iumcarboxamide
OPENEYE Name: (3S)-2,2,5,5-tetramethylpyrrolidin-1-ium-3-carboxamide
IUPAC Name: (3S)-2,2,5,5-tetramethylpyrrolidin-1-ium-3-carboxamide
SYSTEMATIC NAME: (3S)-2,2,5,5-tetramethylpyrrolidin-1-ium-3-carboxamide
MOLECULAR FORMULA: C9H19N2O+
MOLECULAR WEIGHT: 171.25996
SMILES: CC1(C[C@@H](C([NH2+]1)(C)C)C(=O)N)C
Structure:
CAS RN: 702-96-5
CAS Name: (3R)-2,2,5,5-tetramethyl-3-pyrrolidin-1-iumcarboxamide
OPENEYE Name: (3R)-2,2,5,5-tetramethylpyrrolidin-1-ium-3-carboxamide
IUPAC Name: (3R)-2,2,5,5-tetramethylpyrrolidin-1-ium-3-carboxamide
SYSTEMATIC NAME: (3R)-2,2,5,5-tetramethylpyrrolidin-1-ium-3-carboxamide
MOLECULAR FORMULA: C9H19N2O+
MOLECULAR WEIGHT: 171.25996
SMILES: CC1(C[C@H](C([NH2+]1)(C)C)C(=O)N)C
Structure:
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