2-(4-oxidanylidene-6-sulfo-cyclohexa-1,5-dien-1-yl)ethanoic acid

Systemtic Name: 2-(4-oxidanylidene-6-sulfo-cyclohexa-1,5-dien-1-yl)ethanoic acid Openeye Name: 2-(4-oxo-6-sulfo-cyclohexa-1,5-dien-1-yl)acetic acid CAS Name: 2-(4-oxo-6-sulfo-1-cyclohexa-1,5-dienyl)acetic acid IUPAC Name: 2-(4-oxo-6-sulfocyclohexa-1,5-dien-1-yl)acetic acid Traditional Name: 2-(4-keto-6-sulfo-cyclohexa-1,5-dien-1-yl)acetic acid Formula: C8H8O6S MolecularWeight: 232.21052

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Descriptors Computed from Structure

Canonical SMILES:

C1C=C(C(=CC1=O)S(=O)(=O)O)CC(=O)O

Isomeric SMILES

C1C=C(C(=CC1=O)S(=O)(=O)O)CC(=O)O

InChI

InChI=1S/C8H8O6S/c9-6-2-1-5(3-8(10)11)7(4-6)15(12,13)14/h1,4H,2-3H2,(H,10,11)(H,12,13,14)