2-phenyl-4-[2-[3-(triphenylmethyl)imidazol-1-ium-1-yl]ethyl]benzoic acid

Systemtic Name: 2-phenyl-4-[2-[3-(triphenylmethyl)imidazol-1-ium-1-yl]ethyl]benzoic acid Openeye Name: 2-phenyl-4-[2-(3-tritylimidazol-1-ium-1-yl)ethyl]benzoic acid CAS Name: 2-phenyl-4-[2-[3-(triphenylmethyl)-1-imidazol-1-iumyl]ethyl]benzoic acid IUPAC Name: 2-phenyl-4-[2-(3-tritylimidazol-1-ium-1-yl)ethyl]benzoic acid Traditional Name: 2-phenyl-4-[2-(3-tritylimidazol-1-ium-1-yl)ethyl]benzoic acid Formula: C37H31N2O2+ MolecularWeight: 535.65424

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C=CC(=C2)CC[N+]3=CN(C=C3)C(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C=CC(=C2)CC[N+]3=CN(C=C3)C(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)C(=O)O

InChI

InChI=1S/C37H30N2O2/c40-36(41)34-22-21-29(27-35(34)30-13-5-1-6-14-30)23-24-38-25-26-39(28-38)37(31-15-7-2-8-16-31,32-17-9-3-10-18-32)33-19-11-4-12-20-33/h1-22,25-28H,23-24H2/p+1