2-methoxy-4-oxidanylidene-5-(phenylcarbonyl)cyclohexa-1,5-diene-1-sulfonic acid

Systemtic Name: 2-methoxy-4-oxidanylidene-5-(phenylcarbonyl)cyclohexa-1,5-diene-1-sulfonic acid Openeye Name: 5-benzoyl-2-methoxy-4-oxo-cyclohexa-1,5-diene-1-sulfonic acid CAS Name: 5-benzoyl-2-methoxy-4-oxo-1-cyclohexa-1,5-dienesulfonic acid IUPAC Name: 5-benzoyl-2-methoxy-4-oxocyclohexa-1,5-diene-1-sulfonic acid Traditional Name: 5-benzoyl-4-keto-2-methoxy-cyclohexa-1,5-diene-1-sulfonic acid Formula: C14H12O6S MolecularWeight: 308.30648

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=O)C1)C(=O)C2=CC=CC=C2)S(=O)(=O)O

Isomeric SMILES

COC1=C(C=C(C(=O)C1)C(=O)C2=CC=CC=C2)S(=O)(=O)O

InChI

InChI=1S/C14H12O6S/c1-20-12-8-11(15)10(7-13(12)21(17,18)19)14(16)9-5-3-2-4-6-9/h2-7H,8H2,1H3,(H,17,18,19)