5-[(3-carboxy-4-oxidanyl-5-sulfo-phenyl)carbamoylamino]-2-oxidanyl-3-sulfo-benzoic acid

Systemtic Name: 5-[(3-carboxy-4-oxidanyl-5-sulfo-phenyl)carbamoylamino]-2-oxidanyl-3-sulfo-benzoic acid Openeye Name: 5-[(3-carboxy-4-hydroxy-5-sulfo-phenyl)carbamoylamino]-2-hydroxy-3-sulfo-benzoic acid CAS Name: 5-[[(3-carboxy-4-hydroxy-5-sulfoanilino)-oxomethyl]amino]-2-hydroxy-3-sulfobenzoic acid IUPAC Name: 5-[(3-carboxy-4-hydroxy-5-sulfophenyl)carbamoylamino]-2-hydroxy-3-sulfobenzoic acid Traditional Name: 5-[(3-carboxy-4-hydroxy-5-sulfo-phenyl)carbamoylamino]-2-hydroxy-3-sulfo-benzoic acid Formula: C15H12N2O13S2 MolecularWeight: 492.39138

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1S(=O)(=O)O)O)C(=O)O)NC(=O)NC2=CC(=C(C(=C2)C(=O)O)O)S(=O)(=O)O

Isomeric SMILES

C1=C(C=C(C(=C1S(=O)(=O)O)O)C(=O)O)NC(=O)NC2=CC(=C(C(=C2)C(=O)O)O)S(=O)(=O)O

InChI

InChI=1S/C15H12N2O13S2/c18-11-7(13(20)21)1-5(3-9(11)31(25,26)27)16-15(24)17-6-2-8(14(22)23)12(19)10(4-6)32(28,29)30/h1-4,18-19H,(H,20,21)(H,22,23)(H2,16,17,24)(H,25,26,27)(H,28,29,30)