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

Systemtic Name: 4-[(4-carboxy-3-sulfo-phenyl)carbamoylamino]-2-sulfo-benzoic acid Openeye Name: 4-[(4-carboxy-3-sulfo-phenyl)carbamoylamino]-2-sulfo-benzoic acid CAS Name: 4-[[(4-carboxy-3-sulfoanilino)-oxomethyl]amino]-2-sulfobenzoic acid IUPAC Name: 4-[(4-carboxy-3-sulfophenyl)carbamoylamino]-2-sulfobenzoic acid Traditional Name: 4-[(4-carboxy-3-sulfo-phenyl)carbamoylamino]-2-sulfo-benzoic acid Formula: C15H12N2O11S2 MolecularWeight: 460.39258

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC(=O)NC2=CC(=C(C=C2)C(=O)O)S(=O)(=O)O)S(=O)(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=C(C=C1NC(=O)NC2=CC(=C(C=C2)C(=O)O)S(=O)(=O)O)S(=O)(=O)O)C(=O)O

InChI

InChI=1S/C15H12N2O11S2/c18-13(19)9-3-1-7(5-11(9)29(23,24)25)16-15(22)17-8-2-4-10(14(20)21)12(6-8)30(26,27)28/h1-6H,(H,18,19)(H,20,21)(H2,16,17,22)(H,23,24,25)(H,26,27,28)