CAS RN: 624-39-5
CAS Name: benzene-1,4-dithiolate
OPENEYE Name: benzene-1,4-dithiolate
IUPAC Name: benzene-1,4-dithiolate
SYSTEMATIC NAME: benzene-1,4-dithiolate
MOLECULAR FORMULA: C6H4S2-2
MOLECULAR WEIGHT: 140.22596
SMILES: C1=CC(=CC=C1[S-])[S-]
Structure:
CAS RN: 36567-72-3
CAS Name: (3S)-3-hydroxy-3-phenylpropanoate
OPENEYE Name: (3S)-3-hydroxy-3-phenyl-propanoate
IUPAC Name: (3S)-3-hydroxy-3-phenylpropanoate
SYSTEMATIC NAME: (3S)-3-oxidanyl-3-phenyl-propanoate
MOLECULAR FORMULA: C9H9O3-
MOLECULAR WEIGHT: 165.16596
SMILES: C1=CC=C(C=C1)[C@H](CC(=O)[O-])O
Structure:
CAS RN: 2768-42-5
CAS Name: (3R)-3-hydroxy-3-phenylpropanoate
OPENEYE Name: (3R)-3-hydroxy-3-phenyl-propanoate
IUPAC Name: (3R)-3-hydroxy-3-phenylpropanoate
SYSTEMATIC NAME: (3R)-3-oxidanyl-3-phenyl-propanoate
MOLECULAR FORMULA: C9H9O3-
MOLECULAR WEIGHT: 165.16596
SMILES: C1=CC=C(C=C1)[C@@H](CC(=O)[O-])O
Structure:
CAS RN: 135236-72-5
CAS Name: 3-hydroxy-3-methylbutanoate
OPENEYE Name: 3-hydroxy-3-methyl-butanoate
IUPAC Name: 3-hydroxy-3-methylbutanoate
SYSTEMATIC NAME: 3-methyl-3-oxidanyl-butanoate
MOLECULAR FORMULA: C5H9O3-
MOLECULAR WEIGHT: 117.12316
SMILES: CC(C)(CC(=O)[O-])O
Structure:
CAS RN: 33371-97-0
CAS Name: (2R)-2-ethoxy-1-cyclohexanone
OPENEYE Name: (2R)-2-ethoxycyclohexanone
IUPAC Name: (2R)-2-ethoxycyclohexan-1-one
SYSTEMATIC NAME: (2R)-2-ethoxycyclohexan-1-one
MOLECULAR FORMULA: C8H14O2
MOLECULAR WEIGHT: 142.19556
SMILES: CCO[C@@H]1CCCCC1=O
Structure:
CAS RN: 33371-97-0
CAS Name: (2S)-2-ethoxy-1-cyclohexanone
OPENEYE Name: (2S)-2-ethoxycyclohexanone
IUPAC Name: (2S)-2-ethoxycyclohexan-1-one
SYSTEMATIC NAME: (2S)-2-ethoxycyclohexan-1-one
MOLECULAR FORMULA: C8H14O2
MOLECULAR WEIGHT: 142.19556
SMILES: CCO[C@H]1CCCCC1=O
Structure:
CAS RN: 14003-16-8
CAS Name: (5-methyl-2-furanyl)methylammonium
OPENEYE Name: (5-methyl-2-furyl)methylammonium
IUPAC Name: (5-methylfuran-2-yl)methylazanium
SYSTEMATIC NAME: (5-methylfuran-2-yl)methylazanium
MOLECULAR FORMULA: C6H10NO+
MOLECULAR WEIGHT: 112.1497
SMILES: CC1=CC=C(O1)C[NH3+]
Structure:
CAS RN: 601-79-6
CAS Name: 2-propan-2-ylpropanedioate
OPENEYE Name: 2-isopropylpropanedioate
IUPAC Name: 2-propan-2-ylpropanedioate
SYSTEMATIC NAME: 2-propan-2-ylpropanedioate
MOLECULAR FORMULA: C6H8O4-2
MOLECULAR WEIGHT: 144.12532
SMILES: CC(C)C(C(=O)[O-])C(=O)[O-]
Structure:
CAS RN: 5355-68-0
CAS Name: 1-propan-2-yl-4-piperidin-1-iumone
OPENEYE Name: 1-isopropylpiperidin-1-ium-4-one
IUPAC Name: 1-propan-2-ylpiperidin-1-ium-4-one
SYSTEMATIC NAME: 1-propan-2-ylpiperidin-1-ium-4-one
MOLECULAR FORMULA: C8H16NO+
MOLECULAR WEIGHT: 142.21874
SMILES: CC(C)[NH+]1CCC(=O)CC1
Structure:
CAS RN: 32353-63-2
CAS Name: 3-(2,5-dimethyl-1,3-benzoxazol-3-ium-3-yl)propanoate
OPENEYE Name: 3-(2,5-dimethyl-1,3-benzoxazol-3-ium-3-yl)propanoate
IUPAC Name: 3-(2,5-dimethyl-1,3-benzoxazol-3-ium-3-yl)propanoate
SYSTEMATIC NAME: 3-(2,5-dimethyl-1,3-benzoxazol-3-ium-3-yl)propanoate
MOLECULAR FORMULA: C12H13NO3
MOLECULAR WEIGHT: 219.23652
SMILES: CC1=CC2=C(C=C1)OC(=[N+]2CCC(=O)[O-])C
Structure:
CAS RN: 6017-11-4
CAS Name: 2-(1H-benzimidazol-2-ylmethylthio)acetate
OPENEYE Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)acetate
IUPAC Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)acetate
SYSTEMATIC NAME: 2-(1H-benzimidazol-2-ylmethylsulfanyl)ethanoate
MOLECULAR FORMULA: C10H9N2O2S-
MOLECULAR WEIGHT: 221.25566
SMILES: C1=CC=C2C(=C1)NC(=N2)CSCC(=O)[O-]
Structure:
CAS RN: 28143-91-1
CAS Name: [(1S,2S)-1,3-dihydroxy-1-phenylpropan-2-yl]ammonium
OPENEYE Name: [(1S,2S)-2-hydroxy-1-(hydroxymethyl)-2-phenyl-ethyl]ammonium
IUPAC Name: [(1S,2S)-1,3-dihydroxy-1-phenylpropan-2-yl]azanium
SYSTEMATIC NAME: [(1S,2S)-1,3-bis(oxidanyl)-1-phenyl-propan-2-yl]azanium
MOLECULAR FORMULA: C9H14NO2+
MOLECULAR WEIGHT: 168.21296
SMILES: C1=CC=C(C=C1)[C@@H]([C@H](CO)[NH3+])O
Structure:
CAS RN: 46032-98-8
CAS Name: [(1R,2R)-1,3-dihydroxy-1-phenylpropan-2-yl]ammonium
OPENEYE Name: [(1R,2R)-2-hydroxy-1-(hydroxymethyl)-2-phenyl-ethyl]ammonium
IUPAC Name: [(1R,2R)-1,3-dihydroxy-1-phenylpropan-2-yl]azanium
SYSTEMATIC NAME: [(1R,2R)-1,3-bis(oxidanyl)-1-phenyl-propan-2-yl]azanium
MOLECULAR FORMULA: C9H14NO2+
MOLECULAR WEIGHT: 168.21296
SMILES: C1=CC=C(C=C1)[C@H]([C@@H](CO)[NH3+])O
Structure:
CAS RN: 2147-83-3
CAS Name: 3-(1,2,3,6-tetrahydropyridin-1-ium-4-yl)-1H-benzimidazol-2-one
OPENEYE Name: 3-(1,2,3,6-tetrahydropyridin-1-ium-4-yl)-1H-benzimidazol-2-one
IUPAC Name: 3-(1,2,3,6-tetrahydropyridin-1-ium-4-yl)-1H-benzimidazol-2-one
SYSTEMATIC NAME: 3-(1,2,3,6-tetrahydropyridin-1-ium-4-yl)-1H-benzimidazol-2-one
MOLECULAR FORMULA: C12H14N3O+
MOLECULAR WEIGHT: 216.25906
SMILES: C1C[NH2+]CC=C1N2C3=CC=CC=C3NC2=O
Structure:
CAS RN: 331717-42-1
CAS Name: (2R)-2-hydroxypentanoate
OPENEYE Name: (2R)-2-hydroxypentanoate
IUPAC Name: (2R)-2-hydroxypentanoate
SYSTEMATIC NAME: (2R)-2-oxidanylpentanoate
MOLECULAR FORMULA: C5H9O3-
MOLECULAR WEIGHT: 117.12316
SMILES: CCC[C@H](C(=O)[O-])O
Structure:
CAS RN: 41014-93-1
CAS Name: (2S)-2-hydroxypentanoic acid
OPENEYE Name: (2S)-2-hydroxypentanoic acid
IUPAC Name: (2S)-2-hydroxypentanoic acid
SYSTEMATIC NAME: (2S)-2-oxidanylpentanoic acid
MOLECULAR FORMULA: C5H10O3
MOLECULAR WEIGHT: 118.1311
SMILES: CCC[C@@H](C(=O)O)O
Structure:
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