(1S,2R)-2-[(2-oxidanyl-5-sulfonato-phenyl)carbamoyl]cyclohexane-1-carboxylate

Systemtic Name: (1S,2R)-2-[(2-oxidanyl-5-sulfonato-phenyl)carbamoyl]cyclohexane-1-carboxylate Openeye Name: (1S,2R)-2-[(2-hydroxy-5-sulfonato-phenyl)carbamoyl]cyclohexanecarboxylate CAS Name: (1S,2R)-2-[(2-hydroxy-5-sulfonatoanilino)-oxomethyl]-1-cyclohexanecarboxylate IUPAC Name: (1S,2R)-2-[(2-hydroxy-5-sulfonatophenyl)carbamoyl]cyclohexane-1-carboxylate Traditional Name: (1S,2R)-2-[(2-hydroxy-5-sulfonato-phenyl)carbamoyl]cyclohexanecarboxylate Formula: C14H15NO7S-2 MolecularWeight: 341.3364

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C(=O)NC2=C(C=CC(=C2)S(=O)(=O)[O-])O)C(=O)[O-]

Isomeric SMILES

C1CC[C@@H]([C@@H](C1)C(=O)NC2=C(C=CC(=C2)S(=O)(=O)[O-])O)C(=O)[O-]

InChI

InChI=1S/C14H17NO7S/c16-12-6-5-8(23(20,21)22)7-11(12)15-13(17)9-3-1-2-4-10(9)14(18)19/h5-7,9-10,16H,1-4H2,(H,15,17)(H,18,19)(H,20,21,22)/p-2/t9-,10+/m1/s1