3-[(3-azanyl-5-sulfo-phenyl)carbonylamino]-5-sulfo-benzoic acid

Systemtic Name: 3-[(3-azanyl-5-sulfo-phenyl)carbonylamino]-5-sulfo-benzoic acid Openeye Name: 3-[(3-amino-5-sulfo-benzoyl)amino]-5-sulfo-benzoic acid CAS Name: 3-[[(3-amino-5-sulfophenyl)-oxomethyl]amino]-5-sulfobenzoic acid IUPAC Name: 3-[(3-amino-5-sulfobenzoyl)amino]-5-sulfobenzoic acid Traditional Name: 3-[(3-amino-5-sulfo-benzoyl)amino]-5-sulfo-benzoic acid Formula: C14H12N2O9S2 MolecularWeight: 416.38308

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C=C1N)S(=O)(=O)O)C(=O)NC2=CC(=CC(=C2)C(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=C(C=C(C=C1N)S(=O)(=O)O)C(=O)NC2=CC(=CC(=C2)C(=O)O)S(=O)(=O)O

InChI

InChI=1S/C14H12N2O9S2/c15-9-1-7(3-11(5-9)26(20,21)22)13(17)16-10-2-8(14(18)19)4-12(6-10)27(23,24)25/h1-6H,15H2,(H,16,17)(H,18,19)(H,20,21,22)(H,23,24,25)