[4,7-dimethyl-6-(4-methylphenyl)sulfonyloxy-1,3-dioxepan-5-yl] 4-methylbenzenesulfonate

Systemtic Name: [4,7-dimethyl-6-(4-methylphenyl)sulfonyloxy-1,3-dioxepan-5-yl] 4-methylbenzenesulfonate Openeye Name: [4,7-dimethyl-6-(p-tolylsulfonyloxy)-1,3-dioxepan-5-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4,7-dimethyl-6-(4-methylphenyl)sulfonyloxy-1,3-dioxepan-5-yl] ester IUPAC Name: [4,7-dimethyl-6-(4-methylphenyl)sulfonyloxy-1,3-dioxepan-5-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (4,7-dimethyl-6-tosyloxy-1,3-dioxepan-5-yl) ester Formula: C21H26O8S2 MolecularWeight: 470.55634

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(OCO1)C)OS(=O)(=O)C2=CC=C(C=C2)C)OS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CC1C(C(C(OCO1)C)OS(=O)(=O)C2=CC=C(C=C2)C)OS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C21H26O8S2/c1-14-5-9-18(10-6-14)30(22,23)28-20-16(3)26-13-27-17(4)21(20)29-31(24,25)19-11-7-15(2)8-12-19/h5-12,16-17,20-21H,13H2,1-4H3