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

Systemtic Name: (3-cyanato-2-oxidanylidene-pyridin-1-yl) 4-methylbenzenesulfonate Openeye Name: (3-cyanato-2-oxo-1-pyridyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (3-cyanato-2-oxo-1-pyridinyl) ester IUPAC Name: (3-cyanato-2-oxopyridin-1-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (3-cyanato-2-keto-1-pyridyl) ester Formula: C13H10N2O5S MolecularWeight: 306.2939

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)ON2C=CC=C(C2=O)OC#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)ON2C=CC=C(C2=O)OC#N

InChI

InChI=1S/C13H10N2O5S/c1-10-4-6-11(7-5-10)21(17,18)20-15-8-2-3-12(13(15)16)19-9-14/h2-8H,1H3