(5-methyl-2-oxidanylidene-1,3,6-triphenyl-pyridin-4-yl) 4-methylbenzenesulfonate

Systemtic Name: (5-methyl-2-oxidanylidene-1,3,6-triphenyl-pyridin-4-yl) 4-methylbenzenesulfonate Openeye Name: (5-methyl-2-oxo-1,3,6-triphenyl-4-pyridyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (5-methyl-2-oxo-1,3,6-triphenyl-4-pyridinyl) ester IUPAC Name: (5-methyl-2-oxo-1,3,6-triphenylpyridin-4-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (2-keto-5-methyl-1,3,6-triphenyl-4-pyridyl) ester Formula: C31H25NO4S MolecularWeight: 507.5995

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C(=O)N(C(=C2C)C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C(=O)N(C(=C2C)C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C31H25NO4S/c1-22-18-20-27(21-19-22)37(34,35)36-30-23(2)29(25-14-8-4-9-15-25)32(26-16-10-5-11-17-26)31(33)28(30)24-12-6-3-7-13-24/h3-21H,1-2H3