(3-methyl-2-oxidanylidene-pyridin-1-yl) 4-methylbenzenesulfonate

Systemtic Name: (3-methyl-2-oxidanylidene-pyridin-1-yl) 4-methylbenzenesulfonate Openeye Name: (3-methyl-2-oxo-1-pyridyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (3-methyl-2-oxo-1-pyridinyl) ester IUPAC Name: (3-methyl-2-oxopyridin-1-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (2-keto-3-methyl-1-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)ON2C=CC=C(C2=O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)ON2C=CC=C(C2=O)C

InChI

InChI=1S/C13H13NO4S/c1-10-5-7-12(8-6-10)19(16,17)18-14-9-3-4-11(2)13(14)15/h3-9H,1-2H3