4-oxidanylidene-4-[(3-sulfonatophenyl)amino]butanoate

Systemtic Name: 4-oxidanylidene-4-[(3-sulfonatophenyl)amino]butanoate Openeye Name: 4-oxo-4-(3-sulfonatoanilino)butanoate CAS Name: 4-oxo-4-(3-sulfonatoanilino)butanoate IUPAC Name: 4-oxo-4-(3-sulfonatoanilino)butanoate Traditional Name: 4-keto-4-(3-sulfonatoanilino)butyrate Formula: C10H9NO6S-2 MolecularWeight: 271.24656

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)[O-])NC(=O)CCC(=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)[O-])NC(=O)CCC(=O)[O-]

InChI

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