1-methoxy-3-oxidanyl-4-(phenylcarbonyl)cyclohexa-2,5-diene-1-sulfonic acid

Systemtic Name: 1-methoxy-3-oxidanyl-4-(phenylcarbonyl)cyclohexa-2,5-diene-1-sulfonic acid Openeye Name: 4-benzoyl-3-hydroxy-1-methoxy-cyclohexa-2,5-diene-1-sulfonic acid CAS Name: 4-benzoyl-3-hydroxy-1-methoxy-1-cyclohexa-2,5-dienesulfonic acid IUPAC Name: 4-benzoyl-3-hydroxy-1-methoxycyclohexa-2,5-diene-1-sulfonic acid Traditional Name: 4-benzoyl-3-hydroxy-1-methoxy-cyclohexa-2,5-diene-1-sulfonic acid Formula: C14H14O6S MolecularWeight: 310.32236

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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