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

Systemtic Name: [6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl] 2,3-dimethylbenzenesulfonate Openeye Name: [2,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-3-yl] 2,3-dimethylbenzenesulfonate CAS Name: 2,3-dimethylbenzenesulfonic acid [2,4,5-trihydroxy-6-(hydroxymethyl)-3-oxanyl] ester IUPAC Name: [2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl] 2,3-dimethylbenzenesulfonate Traditional Name: 2,3-dimethylbenzenesulfonic acid (2,4,5-trihydroxy-6-methylol-tetrahydropyran-3-yl) ester Formula: C14H20O8S MolecularWeight: 348.3688

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)S(=O)(=O)OC2C(C(C(OC2O)CO)O)O)C

Isomeric SMILES

CC1=C(C(=CC=C1)S(=O)(=O)OC2C(C(C(OC2O)CO)O)O)C

InChI

InChI=1S/C14H20O8S/c1-7-4-3-5-10(8(7)2)23(19,20)22-13-12(17)11(16)9(6-15)21-14(13)18/h3-5,9,11-18H,6H2,1-2H3