[6-(hydroxymethyl)pyridin-3-yl] 4-methylbenzenesulfonate

Systemtic Name: [6-(hydroxymethyl)pyridin-3-yl] 4-methylbenzenesulfonate Openeye Name: [6-(hydroxymethyl)-3-pyridyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [6-(hydroxymethyl)-3-pyridinyl] ester IUPAC Name: [6-(hydroxymethyl)pyridin-3-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (6-methylol-3-pyridyl) ester Formula: C13H13NO4S MolecularWeight: 279.31162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CN=C(C=C2)CO

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CN=C(C=C2)CO

InChI

InChI=1S/C13H13NO4S/c1-10-2-6-13(7-3-10)19(16,17)18-12-5-4-11(9-15)14-8-12/h2-8,15H,9H2,1H3