[4-(2-methylphenyl)sulfonyloxy-3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl] 2-methylbenzenesulfonate

Systemtic Name: [4-(2-methylphenyl)sulfonyloxy-3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl] 2-methylbenzenesulfonate Openeye Name: [4-(o-tolylsulfonyloxy)-3,6-dioxo-cyclohexa-1,4-dien-1-yl] 2-methylbenzenesulfonate CAS Name: 2-methylbenzenesulfonic acid [4-(2-methylphenyl)sulfonyloxy-3,6-dioxo-1-cyclohexa-1,4-dienyl] ester IUPAC Name: [4-(2-methylphenyl)sulfonyloxy-3,6-dioxocyclohexa-1,4-dien-1-yl] 2-methylbenzenesulfonate Traditional Name: 2-methylbenzenesulfonic acid [3,6-diketo-4-(o-tolylsulfonyloxy)cyclohexa-1,4-dien-1-yl] ester Formula: C20H16O8S2 MolecularWeight: 448.46624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1S(=O)(=O)OC2=CC(=O)C(=CC2=O)OS(=O)(=O)C3=CC=CC=C3C

Isomeric SMILES

CC1=CC=CC=C1S(=O)(=O)OC2=CC(=O)C(=CC2=O)OS(=O)(=O)C3=CC=CC=C3C

InChI

InChI=1S/C20H16O8S2/c1-13-7-3-5-9-19(13)29(23,24)27-17-11-16(22)18(12-15(17)21)28-30(25,26)20-10-6-4-8-14(20)2/h3-12H,1-2H3