4-oxidanylidene-4-[(2-oxidanyl-5-sulfonato-phenyl)amino]butanoate

Systemtic Name: 4-oxidanylidene-4-[(2-oxidanyl-5-sulfonato-phenyl)amino]butanoate Openeye Name: 4-(2-hydroxy-5-sulfonato-anilino)-4-oxo-butanoate CAS Name: 4-(2-hydroxy-5-sulfonatoanilino)-4-oxobutanoate IUPAC Name: 4-(2-hydroxy-5-sulfonatoanilino)-4-oxobutanoate Traditional Name: 4-(2-hydroxy-5-sulfonato-anilino)-4-keto-butyrate Formula: C10H9NO7S-2 MolecularWeight: 287.24596

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1S(=O)(=O)[O-])NC(=O)CCC(=O)[O-])O

Isomeric SMILES

C1=CC(=C(C=C1S(=O)(=O)[O-])NC(=O)CCC(=O)[O-])O

InChI

InChI=1S/C10H11NO7S/c12-8-2-1-6(19(16,17)18)5-7(8)11-9(13)3-4-10(14)15/h1-2,5,12H,3-4H2,(H,11,13)(H,14,15)(H,16,17,18)/p-2