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

Systemtic Name: [4,7-bis(iodanylmethyl)-6-(4-methylphenyl)sulfonyloxy-1,3-dioxepan-5-yl] 4-methylbenzenesulfonate Openeye Name: [4,7-bis(iodomethyl)-6-(p-tolylsulfonyloxy)-1,3-dioxepan-5-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4,7-bis(iodomethyl)-6-(4-methylphenyl)sulfonyloxy-1,3-dioxepan-5-yl] ester IUPAC Name: [4,7-bis(iodomethyl)-6-(4-methylphenyl)sulfonyloxy-1,3-dioxepan-5-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4,7-bis(iodomethyl)-6-tosyloxy-1,3-dioxepan-5-yl] ester Formula: C21H24I2O8S2 MolecularWeight: 722.3494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2C(OCOC(C2OS(=O)(=O)C3=CC=C(C=C3)C)CI)CI

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2C(OCOC(C2OS(=O)(=O)C3=CC=C(C=C3)C)CI)CI

InChI

InChI=1S/C21H24I2O8S2/c1-14-3-7-16(8-4-14)32(24,25)30-20-18(11-22)28-13-29-19(12-23)21(20)31-33(26,27)17-9-5-15(2)6-10-17/h3-10,18-21H,11-13H2,1-2H3