2-[4-[(3-aminophenyl)carbonylamino]-2-sulfo-phenyl]butanedioic acid

Systemtic Name: 2-[4-[(3-aminophenyl)carbonylamino]-2-sulfo-phenyl]butanedioic acid Openeye Name: 2-[4-[(3-aminobenzoyl)amino]-2-sulfo-phenyl]butanedioic acid CAS Name: 2-[4-[[(3-aminophenyl)-oxomethyl]amino]-2-sulfophenyl]butanedioic acid IUPAC Name: 2-[4-[(3-aminobenzoyl)amino]-2-sulfophenyl]butanedioic acid Traditional Name: 2-[4-[(3-aminobenzoyl)amino]-2-sulfo-phenyl]succinic acid Formula: C17H16N2O8S MolecularWeight: 408.38254

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N2O8S/c18-10-3-1-2-9(6-10)16(22)19-11-4-5-12(14(7-11)28(25,26)27)13(17(23)24)8-15(20)21/h1-7,13H,8,18H2,(H,19,22)(H,20,21)(H,23,24)(H,25,26,27)