[2-(2,4-diphenylpyridin-1-ium-1-yl)-1-(3-nitrophenyl)-2-phenyl-ethyl] 4-methylbenzoate

Systemtic Name: [2-(2,4-diphenylpyridin-1-ium-1-yl)-1-(3-nitrophenyl)-2-phenyl-ethyl] 4-methylbenzoate Openeye Name: [2-(2,4-diphenylpyridin-1-ium-1-yl)-1-(3-nitrophenyl)-2-phenyl-ethyl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [2-(2,4-diphenyl-1-pyridin-1-iumyl)-1-(3-nitrophenyl)-2-phenylethyl] ester IUPAC Name: [2-(2,4-diphenylpyridin-1-ium-1-yl)-1-(3-nitrophenyl)-2-phenylethyl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [2-(2,4-diphenylpyridin-1-ium-1-yl)-1-(3-nitrophenyl)-2-phenyl-ethyl] ester Formula: C39H31N2O4+ MolecularWeight: 591.67444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OC(C2=CC(=CC=C2)[N+](=O)[O-])C(C3=CC=CC=C3)[N+]4=C(C=C(C=C4)C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OC(C2=CC(=CC=C2)[N+](=O)[O-])C(C3=CC=CC=C3)[N+]4=C(C=C(C=C4)C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C39H31N2O4/c1-28-20-22-32(23-21-28)39(42)45-38(34-18-11-19-35(26-34)41(43)44)37(31-16-9-4-10-17-31)40-25-24-33(29-12-5-2-6-13-29)27-36(40)30-14-7-3-8-15-30/h2-27,37-38H,1H3/q+1