2-(2,4,6-triphenylpyridin-1-ium-1-yl)ethyl 4-methylbenzenesulfonate

Systemtic Name: 2-(2,4,6-triphenylpyridin-1-ium-1-yl)ethyl 4-methylbenzenesulfonate Openeye Name: 2-(2,4,6-triphenylpyridin-1-ium-1-yl)ethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-(2,4,6-triphenyl-1-pyridin-1-iumyl)ethyl ester IUPAC Name: 2-(2,4,6-triphenylpyridin-1-ium-1-yl)ethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-(2,4,6-triphenylpyridin-1-ium-1-yl)ethyl ester Formula: C32H28NO3S+ MolecularWeight: 506.63462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC[N+]2=C(C=C(C=C2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC[N+]2=C(C=C(C=C2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C32H28NO3S/c1-25-17-19-30(20-18-25)37(34,35)36-22-21-33-31(27-13-7-3-8-14-27)23-29(26-11-5-2-6-12-26)24-32(33)28-15-9-4-10-16-28/h2-20,23-24H,21-22H2,1H3/q+1