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

Systemtic Name: 2-phenyl-4-[(E)-2-[3-(triphenylmethyl)imidazol-3-ium-1-yl]ethenyl]benzoic acid Openeye Name: 2-phenyl-4-[(E)-2-(3-tritylimidazol-3-ium-1-yl)vinyl]benzoic acid CAS Name: 2-phenyl-4-[(E)-2-[3-(triphenylmethyl)-1-imidazol-3-iumyl]ethenyl]benzoic acid IUPAC Name: 2-phenyl-4-[(E)-2-(3-tritylimidazol-3-ium-1-yl)ethenyl]benzoic acid Traditional Name: 2-phenyl-4-[(E)-2-(3-tritylimidazol-3-ium-1-yl)vinyl]benzoic acid Formula: C37H29N2O2+ MolecularWeight: 533.63836

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C=CC(=C2)C=CN3C=C[N+](=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)/C=C/N3C=C[N+](=C3)C(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)C(=O)O

InChI

InChI=1S/C37H28N2O2/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/h1-28H/p+1/b24-23+