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

Systemtic Name: [7-(iodanylmethyl)-4-methyl-6-(4-methylphenyl)sulfonyloxy-1,3-dioxepan-5-yl] 4-methylbenzenesulfonate Openeye Name: [7-(iodomethyl)-4-methyl-6-(p-tolylsulfonyloxy)-1,3-dioxepan-5-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [7-(iodomethyl)-4-methyl-6-(4-methylphenyl)sulfonyloxy-1,3-dioxepan-5-yl] ester IUPAC Name: [7-(iodomethyl)-4-methyl-6-(4-methylphenyl)sulfonyloxy-1,3-dioxepan-5-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [7-(iodomethyl)-4-methyl-6-tosyloxy-1,3-dioxepan-5-yl] ester Formula: C21H25IO8S2 MolecularWeight: 596.45287

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25IO8S2/c1-14-4-8-17(9-5-14)31(23,24)29-20-16(3)27-13-28-19(12-22)21(20)30-32(25,26)18-10-6-15(2)7-11-18/h4-11,16,19-21H,12-13H2,1-3H3