4-oxidanylidene-4-[(2-oxidanyl-5-sulfo-phenyl)amino]butanoic acid

Systemtic Name: 4-oxidanylidene-4-[(2-oxidanyl-5-sulfo-phenyl)amino]butanoic acid Openeye Name: 4-(2-hydroxy-5-sulfo-anilino)-4-oxo-butanoic acid CAS Name: 4-(2-hydroxy-5-sulfoanilino)-4-oxobutanoic acid IUPAC Name: 4-(2-hydroxy-5-sulfoanilino)-4-oxobutanoic acid Traditional Name: 4-(2-hydroxy-5-sulfo-anilino)-4-keto-butyric acid Formula: C10H11NO7S MolecularWeight: 289.26184

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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)