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

Systemtic Name: [6-[1,2-bis(oxidanyl)ethyl]-5-oxidanyl-1,3-dioxan-4-yl]methyl 4-methylbenzenesulfonate Openeye Name: [6-(1,2-dihydroxyethyl)-5-hydroxy-1,3-dioxan-4-yl]methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [6-(1,2-dihydroxyethyl)-5-hydroxy-1,3-dioxan-4-yl]methyl ester IUPAC Name: [6-(1,2-dihydroxyethyl)-5-hydroxy-1,3-dioxan-4-yl]methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [6-(1,2-dihydroxyethyl)-5-hydroxy-1,3-dioxan-4-yl]methyl ester Formula: C14H20O8S MolecularWeight: 348.3688

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20O8S/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/h2-5,11-17H,6-8H2,1H3