3-azanyl-4-oxidanyl-5-[(2-sulfophenyl)carbonylamino]benzenesulfonic acid

Systemtic Name: 3-azanyl-4-oxidanyl-5-[(2-sulfophenyl)carbonylamino]benzenesulfonic acid Openeye Name: 3-amino-4-hydroxy-5-[(2-sulfobenzoyl)amino]benzenesulfonic acid CAS Name: 3-amino-4-hydroxy-5-[[oxo-(2-sulfophenyl)methyl]amino]benzenesulfonic acid IUPAC Name: 3-amino-4-hydroxy-5-[(2-sulfobenzoyl)amino]benzenesulfonic acid Traditional Name: 3-amino-4-hydroxy-5-[(2-sulfobenzoyl)amino]besylic acid Formula: C13H12N2O8S2 MolecularWeight: 388.37298

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NC2=C(C(=CC(=C2)S(=O)(=O)O)N)O)S(=O)(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NC2=C(C(=CC(=C2)S(=O)(=O)O)N)O)S(=O)(=O)O

InChI

InChI=1S/C13H12N2O8S2/c14-9-5-7(24(18,19)20)6-10(12(9)16)15-13(17)8-3-1-2-4-11(8)25(21,22)23/h1-6,16H,14H2,(H,15,17)(H,18,19,20)(H,21,22,23)