[2-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxolan-2-yl]methyl 4-methylbenzenesulfonate

Systemtic Name: [2-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxolan-2-yl]methyl 4-methylbenzenesulfonate Openeye Name: [3,4,5-trihydroxy-2-(hydroxymethyl)tetrahydrofuran-2-yl]methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [3,4,5-trihydroxy-2-(hydroxymethyl)-2-oxolanyl]methyl ester IUPAC Name: [3,4,5-trihydroxy-2-(hydroxymethyl)oxolan-2-yl]methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (3,4,5-trihydroxy-2-methylol-tetrahydrofuran-2-yl)methyl ester Formula: C13H18O8S MolecularWeight: 334.34222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2(C(C(C(O2)O)O)O)CO

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2(C(C(C(O2)O)O)O)CO

InChI

InChI=1S/C13H18O8S/c1-8-2-4-9(5-3-8)22(18,19)20-7-13(6-14)11(16)10(15)12(17)21-13/h2-5,10-12,14-17H,6-7H2,1H3