4-oxidanylidene-3-[(2-phenylphenyl)-sulfo-amino]butanoic acid

Systemtic Name: 4-oxidanylidene-3-[(2-phenylphenyl)-sulfo-amino]butanoic acid Openeye Name: 4-oxo-3-(2-phenyl-N-sulfo-anilino)butanoic acid CAS Name: 4-oxo-3-(2-phenyl-N-sulfoanilino)butanoic acid IUPAC Name: 4-oxo-3-(2-phenyl-N-sulfoanilino)butanoic acid Traditional Name: 4-keto-3-(2-phenyl-N-sulfo-anilino)butyric acid Formula: C16H15NO6S MolecularWeight: 349.3584

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=CC=C2N(C(CC(=O)O)C=O)S(=O)(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=CC=C2N(C(CC(=O)O)C=O)S(=O)(=O)O

InChI

InChI=1S/C16H15NO6S/c18-11-13(10-16(19)20)17(24(21,22)23)15-9-5-4-8-14(15)12-6-2-1-3-7-12/h1-9,11,13H,10H2,(H,19,20)(H,21,22,23)