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

Systemtic Name: [2,6-bis(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl] 4-methylbenzenesulfonate Openeye Name: [2,4,5-trihydroxy-2,6-bis(hydroxymethyl)tetrahydropyran-3-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2,4,5-trihydroxy-2,6-bis(hydroxymethyl)-3-oxanyl] ester IUPAC Name: [2,4,5-trihydroxy-2,6-bis(hydroxymethyl)oxan-3-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (2,4,5-trihydroxy-2,6-dimethylol-tetrahydropyran-3-yl) ester Formula: C14H20O9S MolecularWeight: 364.3682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2C(C(C(OC2(CO)O)CO)O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2C(C(C(OC2(CO)O)CO)O)O

InChI

InChI=1S/C14H20O9S/c1-8-2-4-9(5-3-8)24(20,21)23-13-12(18)11(17)10(6-15)22-14(13,19)7-16/h2-5,10-13,15-19H,6-7H2,1H3