[6-(hydroxymethyl)-4-oxidanylidene-pyran-3-yl] 4-methylbenzenesulfonate

Systemtic Name: [6-(hydroxymethyl)-4-oxidanylidene-pyran-3-yl] 4-methylbenzenesulfonate Openeye Name: [6-(hydroxymethyl)-4-oxo-pyran-3-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [6-(hydroxymethyl)-4-oxo-3-pyranyl] ester IUPAC Name: [6-(hydroxymethyl)-4-oxopyran-3-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (4-keto-6-methylol-pyran-3-yl) ester Formula: C13H12O6S MolecularWeight: 296.29578

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=COC(=CC2=O)CO

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=COC(=CC2=O)CO

InChI

InChI=1S/C13H12O6S/c1-9-2-4-11(5-3-9)20(16,17)19-13-8-18-10(7-14)6-12(13)15/h2-6,8,14H,7H2,1H3