4-oxidanylidene-4-[(2-sulfonatophenyl)amino]butanoate

Systemtic Name: 4-oxidanylidene-4-[(2-sulfonatophenyl)amino]butanoate Openeye Name: 4-oxo-4-(2-sulfonatoanilino)butanoate CAS Name: 4-oxo-4-(2-sulfonatoanilino)butanoate IUPAC Name: 4-oxo-4-(2-sulfonatoanilino)butanoate Traditional Name: 4-keto-4-(2-sulfonatoanilino)butyrate Formula: C10H9NO6S-2 MolecularWeight: 271.24656

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)/p-2