3-methoxy-1-oxidanyl-6-(phenylcarbonyl)cyclohexa-2,4-diene-1-sulfonic acid

Systemtic Name: 3-methoxy-1-oxidanyl-6-(phenylcarbonyl)cyclohexa-2,4-diene-1-sulfonic acid Openeye Name: 6-benzoyl-1-hydroxy-3-methoxy-cyclohexa-2,4-diene-1-sulfonic acid CAS Name: 6-benzoyl-1-hydroxy-3-methoxy-1-cyclohexa-2,4-dienesulfonic acid IUPAC Name: 6-benzoyl-1-hydroxy-3-methoxycyclohexa-2,4-diene-1-sulfonic acid Traditional Name: 6-benzoyl-1-hydroxy-3-methoxy-cyclohexa-2,4-diene-1-sulfonic acid Formula: C14H14O6S MolecularWeight: 310.32236

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14O6S/c1-20-11-7-8-12(14(16,9-11)21(17,18)19)13(15)10-5-3-2-4-6-10/h2-9,12,16H,1H3,(H,17,18,19)