3-azanyl-4-oxidanylidene-4-[(4-sulfophenyl)amino]butanoic acid

Systemtic Name: 3-azanyl-4-oxidanylidene-4-[(4-sulfophenyl)amino]butanoic acid Openeye Name: 3-amino-4-oxo-4-(4-sulfoanilino)butanoic acid CAS Name: 3-amino-4-oxo-4-(4-sulfoanilino)butanoic acid IUPAC Name: 3-amino-4-oxo-4-(4-sulfoanilino)butanoic acid Traditional Name: 3-amino-4-keto-4-(4-sulfoanilino)butyric acid Formula: C10H12N2O6S MolecularWeight: 288.27708

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)C(CC(=O)O)N)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC=C1NC(=O)C(CC(=O)O)N)S(=O)(=O)O

InChI

InChI=1S/C10H12N2O6S/c11-8(5-9(13)14)10(15)12-6-1-3-7(4-2-6)19(16,17)18/h1-4,8H,5,11H2,(H,12,15)(H,13,14)(H,16,17,18)