(6-methanoylpyridin-3-yl) 4-methylbenzenesulfonate

Systemtic Name: (6-methanoylpyridin-3-yl) 4-methylbenzenesulfonate Openeye Name: (6-formyl-3-pyridyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (6-formyl-3-pyridinyl) ester IUPAC Name: (6-formylpyridin-3-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (6-formyl-3-pyridyl) ester Formula: C13H11NO4S MolecularWeight: 277.29574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11NO4S/c1-10-2-6-13(7-3-10)19(16,17)18-12-5-4-11(9-15)14-8-12/h2-9H,1H3