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

Systemtic Name: 2-phenyl-3-[(E)-2-[3-(triphenylmethyl)imidazol-3-ium-1-yl]ethenyl]benzoic acid Openeye Name: 2-phenyl-3-[(E)-2-(3-tritylimidazol-3-ium-1-yl)vinyl]benzoic acid CAS Name: 2-phenyl-3-[(E)-2-[3-(triphenylmethyl)-1-imidazol-3-iumyl]ethenyl]benzoic acid IUPAC Name: 2-phenyl-3-[(E)-2-(3-tritylimidazol-3-ium-1-yl)ethenyl]benzoic acid Traditional Name: 2-phenyl-3-[(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=C2C(=O)O)C=CN3C=C[N+](=C3)C(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C=CC=C2C(=O)O)/C=C/N3C=C[N+](=C3)C(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C37H28N2O2/c40-36(41)34-23-13-16-30(35(34)29-14-5-1-6-15-29)24-25-38-26-27-39(28-38)37(31-17-7-2-8-18-31,32-19-9-3-10-20-32)33-21-11-4-12-22-33/h1-28H/p+1/b25-24+