[4,6-bis(iodanylmethyl)-1,3-dioxan-5-yl] 4-methylbenzenesulfonate

Systemtic Name: [4,6-bis(iodanylmethyl)-1,3-dioxan-5-yl] 4-methylbenzenesulfonate Openeye Name: [4,6-bis(iodomethyl)-1,3-dioxan-5-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4,6-bis(iodomethyl)-1,3-dioxan-5-yl] ester IUPAC Name: [4,6-bis(iodomethyl)-1,3-dioxan-5-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4,6-bis(iodomethyl)-1,3-dioxan-5-yl] ester Formula: C13H16I2O5S MolecularWeight: 538.13708

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2C(OCOC2CI)CI

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2C(OCOC2CI)CI

InChI

InChI=1S/C13H16I2O5S/c1-9-2-4-10(5-3-9)21(16,17)20-13-11(6-14)18-8-19-12(13)7-15/h2-5,11-13H,6-8H2,1H3