(E)-4-oxidanylidene-4-[(4-sulfophenyl)amino]but-2-enoic acid

Systemtic Name: (E)-4-oxidanylidene-4-[(4-sulfophenyl)amino]but-2-enoic acid Openeye Name: (E)-4-oxo-4-(4-sulfoanilino)but-2-enoic acid CAS Name: (E)-4-oxo-4-(4-sulfoanilino)-2-butenoic acid IUPAC Name: (E)-4-oxo-4-(4-sulfoanilino)but-2-enoic acid Traditional Name: (E)-4-keto-4-(4-sulfoanilino)but-2-enoic acid Formula: C10H9NO6S MolecularWeight: 271.24656

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)C=CC(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC=C1NC(=O)/C=C/C(=O)O)S(=O)(=O)O

InChI

InChI=1S/C10H9NO6S/c12-9(5-6-10(13)14)11-7-1-3-8(4-2-7)18(15,16)17/h1-6H,(H,11,12)(H,13,14)(H,15,16,17)/b6-5+