(3-ethanoyl-2-oxidanylidene-1,6-diphenyl-pyridin-4-yl) 4-methylbenzenesulfonate

Systemtic Name: (3-ethanoyl-2-oxidanylidene-1,6-diphenyl-pyridin-4-yl) 4-methylbenzenesulfonate Openeye Name: (3-acetyl-2-oxo-1,6-diphenyl-4-pyridyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (3-acetyl-2-oxo-1,6-diphenyl-4-pyridinyl) ester IUPAC Name: (3-acetyl-2-oxo-1,6-diphenylpyridin-4-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (3-acetyl-2-keto-1,6-diphenyl-4-pyridyl) ester Formula: C26H21NO5S MolecularWeight: 459.51364

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C(=O)N(C(=C2)C3=CC=CC=C3)C4=CC=CC=C4)C(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C(=O)N(C(=C2)C3=CC=CC=C3)C4=CC=CC=C4)C(=O)C

InChI

InChI=1S/C26H21NO5S/c1-18-13-15-22(16-14-18)33(30,31)32-24-17-23(20-9-5-3-6-10-20)27(21-11-7-4-8-12-21)26(29)25(24)19(2)28/h3-17H,1-2H3