4-[(4-azanyl-3-sulfo-phenyl)carbamoyl]phthalic acid

Systemtic Name: 4-[(4-azanyl-3-sulfo-phenyl)carbamoyl]phthalic acid Openeye Name: 4-[(4-amino-3-sulfo-phenyl)carbamoyl]phthalic acid CAS Name: 4-[(4-amino-3-sulfoanilino)-oxomethyl]phthalic acid IUPAC Name: 4-[(4-amino-3-sulfophenyl)carbamoyl]phthalic acid Traditional Name: 4-[(4-amino-3-sulfo-phenyl)carbamoyl]phthalic acid Formula: C15H12N2O8S MolecularWeight: 380.32938

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)NC2=CC(=C(C=C2)N)S(=O)(=O)O)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=C(C=C1C(=O)NC2=CC(=C(C=C2)N)S(=O)(=O)O)C(=O)O)C(=O)O

InChI

InChI=1S/C15H12N2O8S/c16-11-4-2-8(6-12(11)26(23,24)25)17-13(18)7-1-3-9(14(19)20)10(5-7)15(21)22/h1-6H,16H2,(H,17,18)(H,19,20)(H,21,22)(H,23,24,25)