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

Systemtic Name: 6-methoxy-4,4-bis(oxidanyl)-3-(phenylcarbonyl)cyclohexa-1,5-diene-1-sulfonic acid Openeye Name: 3-benzoyl-4,4-dihydroxy-6-methoxy-cyclohexa-1,5-diene-1-sulfonic acid CAS Name: 3-benzoyl-4,4-dihydroxy-6-methoxy-1-cyclohexa-1,5-dienesulfonic acid IUPAC Name: 3-benzoyl-4,4-dihydroxy-6-methoxycyclohexa-1,5-diene-1-sulfonic acid Traditional Name: 3-benzoyl-4,4-dihydroxy-6-methoxy-cyclohexa-1,5-diene-1-sulfonic acid Formula: C14H14O7S MolecularWeight: 326.32176

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(C(C=C1S(=O)(=O)O)C(=O)C2=CC=CC=C2)(O)O

Isomeric SMILES

COC1=CC(C(C=C1S(=O)(=O)O)C(=O)C2=CC=CC=C2)(O)O

InChI

InChI=1S/C14H14O7S/c1-21-11-8-14(16,17)10(7-12(11)22(18,19)20)13(15)9-5-3-2-4-6-9/h2-8,10,16-17H,1H3,(H,18,19,20)