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

Systemtic Name: 6-methoxy-4-oxidanyl-6-phenoxy-3-(phenylcarbonyl)cyclohexa-1,4-diene-1-sulfonic acid Openeye Name: 3-benzoyl-4-hydroxy-6-methoxy-6-phenoxy-cyclohexa-1,4-diene-1-sulfonic acid CAS Name: 3-benzoyl-4-hydroxy-6-methoxy-6-phenoxy-1-cyclohexa-1,4-dienesulfonic acid IUPAC Name: 3-benzoyl-4-hydroxy-6-methoxy-6-phenoxycyclohexa-1,4-diene-1-sulfonic acid Traditional Name: 3-benzoyl-4-hydroxy-6-methoxy-6-phenoxy-cyclohexa-1,4-diene-1-sulfonic acid Formula: C20H18O7S MolecularWeight: 402.41772

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Descriptors Computed from Structure

Canonical SMILES:

COC1(C=C(C(C=C1S(=O)(=O)O)C(=O)C2=CC=CC=C2)O)OC3=CC=CC=C3

Isomeric SMILES

COC1(C=C(C(C=C1S(=O)(=O)O)C(=O)C2=CC=CC=C2)O)OC3=CC=CC=C3

InChI

InChI=1S/C20H18O7S/c1-26-20(27-15-10-6-3-7-11-15)13-17(21)16(12-18(20)28(23,24)25)19(22)14-8-4-2-5-9-14/h2-13,16,21H,1H3,(H,23,24,25)