[2-(hydroxymethyl)-3,5,6-tris(oxidanyl)oxan-4-yl] 4-methylbenzenesulfonate

Systemtic Name: [2-(hydroxymethyl)-3,5,6-tris(oxidanyl)oxan-4-yl] 4-methylbenzenesulfonate Openeye Name: [2,3,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-4-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2,3,5-trihydroxy-6-(hydroxymethyl)-4-oxanyl] ester IUPAC Name: [2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (2,3,5-trihydroxy-6-methylol-tetrahydropyran-4-yl) ester Formula: C13H18O8S MolecularWeight: 334.34222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2C(C(OC(C2O)O)CO)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2C(C(OC(C2O)O)CO)O

InChI

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