4-oxidanylidene-4-[(2-sulfophenyl)amino]butanoic acid

Systemtic Name: 4-oxidanylidene-4-[(2-sulfophenyl)amino]butanoic acid Openeye Name: 4-oxo-4-(2-sulfoanilino)butanoic acid CAS Name: 4-oxo-4-(2-sulfoanilino)butanoic acid IUPAC Name: 4-oxo-4-(2-sulfoanilino)butanoic acid Traditional Name: 4-keto-4-(2-sulfoanilino)butyric acid Formula: C10H11NO6S MolecularWeight: 273.26244

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC(=O)CCC(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)NC(=O)CCC(=O)O)S(=O)(=O)O

InChI

InChI=1S/C10H11NO6S/c12-9(5-6-10(13)14)11-7-3-1-2-4-8(7)18(15,16)17/h1-4H,5-6H2,(H,11,12)(H,13,14)(H,15,16,17)