[6-(2-iodanyl-1-oxidanyl-ethyl)-5-oxidanyl-1,3-dioxan-4-yl]methyl 4-methylbenzenesulfonate

Systemtic Name: [6-(2-iodanyl-1-oxidanyl-ethyl)-5-oxidanyl-1,3-dioxan-4-yl]methyl 4-methylbenzenesulfonate Openeye Name: [5-hydroxy-6-(1-hydroxy-2-iodo-ethyl)-1,3-dioxan-4-yl]methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [5-hydroxy-6-(1-hydroxy-2-iodoethyl)-1,3-dioxan-4-yl]methyl ester IUPAC Name: [5-hydroxy-6-(1-hydroxy-2-iodoethyl)-1,3-dioxan-4-yl]methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [5-hydroxy-6-(1-hydroxy-2-iodo-ethyl)-1,3-dioxan-4-yl]methyl ester Formula: C14H19IO7S MolecularWeight: 458.26593

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2C(C(OCO2)C(CI)O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2C(C(OCO2)C(CI)O)O

InChI

InChI=1S/C14H19IO7S/c1-9-2-4-10(5-3-9)23(18,19)22-7-12-13(17)14(11(16)6-15)21-8-20-12/h2-5,11-14,16-17H,6-8H2,1H3