[5-(4-methylphenyl)sulfonyloxy-3,4-bis(oxidanylidene)heptan-2-yl] 4-methylbenzenesulfonate

Systemtic Name: [5-(4-methylphenyl)sulfonyloxy-3,4-bis(oxidanylidene)heptan-2-yl] 4-methylbenzenesulfonate Openeye Name: [1-methyl-2,3-dioxo-4-(p-tolylsulfonyloxy)hexyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [5-(4-methylphenyl)sulfonyloxy-3,4-dioxoheptan-2-yl] ester IUPAC Name: [5-(4-methylphenyl)sulfonyloxy-3,4-dioxoheptan-2-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (2,3-diketo-1-methyl-4-tosyloxy-hexyl) ester Formula: C21H24O8S2 MolecularWeight: 468.54046

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)C(=O)C(C)OS(=O)(=O)C1=CC=C(C=C1)C)OS(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCC(C(=O)C(=O)C(C)OS(=O)(=O)C1=CC=C(C=C1)C)OS(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C21H24O8S2/c1-5-19(29-31(26,27)18-12-8-15(3)9-13-18)21(23)20(22)16(4)28-30(24,25)17-10-6-14(2)7-11-17/h6-13,16,19H,5H2,1-4H3