[2-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl 4-methylbenzenesulfonate

Systemtic Name: [2-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl 4-methylbenzenesulfonate Openeye Name: [3,4-dihydroxy-2-(hydroxymethyl)tetrahydrofuran-2-yl]methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [3,4-dihydroxy-2-(hydroxymethyl)-2-oxolanyl]methyl ester IUPAC Name: [3,4-dihydroxy-2-(hydroxymethyl)oxolan-2-yl]methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (3,4-dihydroxy-2-methylol-tetrahydrofuran-2-yl)methyl ester Formula: C13H18O7S MolecularWeight: 318.34282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2(C(C(CO2)O)O)CO

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2(C(C(CO2)O)O)CO

InChI

InChI=1S/C13H18O7S/c1-9-2-4-10(5-3-9)21(17,18)20-8-13(7-14)12(16)11(15)6-19-13/h2-5,11-12,14-16H,6-8H2,1H3