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

Systemtic Name: 6-methoxy-6-methyl-4-oxidanyl-3-(phenylcarbonyl)cyclohexa-1,4-diene-1-sulfonic acid Openeye Name: 3-benzoyl-4-hydroxy-6-methoxy-6-methyl-cyclohexa-1,4-diene-1-sulfonic acid CAS Name: 3-benzoyl-4-hydroxy-6-methoxy-6-methyl-1-cyclohexa-1,4-dienesulfonic acid IUPAC Name: 3-benzoyl-4-hydroxy-6-methoxy-6-methylcyclohexa-1,4-diene-1-sulfonic acid Traditional Name: 3-benzoyl-4-hydroxy-6-methoxy-6-methyl-cyclohexa-1,4-diene-1-sulfonic acid Formula: C15H16O6S MolecularWeight: 324.34894

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C=C(C(C=C1S(=O)(=O)O)C(=O)C2=CC=CC=C2)O)OC

Isomeric SMILES

CC1(C=C(C(C=C1S(=O)(=O)O)C(=O)C2=CC=CC=C2)O)OC

InChI

InChI=1S/C15H16O6S/c1-15(21-2)9-12(16)11(8-13(15)22(18,19)20)14(17)10-6-4-3-5-7-10/h3-9,11,16H,1-2H3,(H,18,19,20)