[4-(4-methylphenyl)sulfonyloxy-5-oxidanylidene-cyclohepta-1,3,6-trien-1-yl] 4-methylbenzenesulfonate

Systemtic Name: [4-(4-methylphenyl)sulfonyloxy-5-oxidanylidene-cyclohepta-1,3,6-trien-1-yl] 4-methylbenzenesulfonate Openeye Name: [5-oxo-4-(p-tolylsulfonyloxy)cyclohepta-1,3,6-trien-1-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-(4-methylphenyl)sulfonyloxy-5-oxo-1-cyclohepta-1,3,6-trienyl] ester IUPAC Name: [4-(4-methylphenyl)sulfonyloxy-5-oxocyclohepta-1,3,6-trien-1-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (5-keto-4-tosyloxy-cyclohepta-1,3,6-trien-1-yl) ester Formula: C21H18O7S2 MolecularWeight: 446.49342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C(=O)C=C2)OS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C(=O)C=C2)OS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C21H18O7S2/c1-15-3-9-18(10-4-15)29(23,24)27-17-7-13-20(22)21(14-8-17)28-30(25,26)19-11-5-16(2)6-12-19/h3-14H,1-2H3