(5-methylpyridin-3-yl) 4-methylbenzenesulfonate

Systemtic Name: (5-methylpyridin-3-yl) 4-methylbenzenesulfonate Openeye Name: (5-methyl-3-pyridyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (5-methyl-3-pyridinyl) ester IUPAC Name: (5-methylpyridin-3-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (5-methyl-3-pyridyl) ester Formula: C13H13NO3S MolecularWeight: 263.31222

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13NO3S/c1-10-3-5-13(6-4-10)18(15,16)17-12-7-11(2)8-14-9-12/h3-9H,1-2H3