[4-[1-[(4-nitrophenyl)methyl]-4,5-diphenyl-imidazol-2-yl]phenyl]-triphenyl-phosphanium bromide

Systemtic Name: [4-[1-[(4-nitrophenyl)methyl]-4,5-diphenyl-imidazol-2-yl]phenyl]-triphenyl-phosphanium bromide Openeye Name: [4-[1-[(4-nitrophenyl)methyl]-4,5-diphenyl-imidazol-2-yl]phenyl]-triphenyl-phosphonium bromide CAS Name: [4-[1-[(4-nitrophenyl)methyl]-4,5-diphenyl-2-imidazolyl]phenyl]-triphenylphosphonium bromide IUPAC Name: [4-[1-[(4-nitrophenyl)methyl]-4,5-diphenylimidazol-2-yl]phenyl]-triphenylphosphanium bromide Traditional Name: [4-[1-(4-nitrobenzyl)-4,5-diphenyl-imidazol-2-yl]phenyl]-triphenyl-phosphonium bromide Formula: C46H35BrN3O2P MolecularWeight: 772.666761

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(N(C(=N2)C3=CC=C(C=C3)[P+](C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)CC7=CC=C(C=C7)[N+](=O)[O-])C8=CC=CC=C8.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)C2=C(N(C(=N2)C3=CC=C(C=C3)[P+](C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)CC7=CC=C(C=C7)[N+](=O)[O-])C8=CC=CC=C8.[Br-]

InChI

InChI=1S/C46H35N3O2P.BrH/c50-49(51)39-30-26-35(27-31-39)34-48-45(37-18-8-2-9-19-37)44(36-16-6-1-7-17-36)47-46(48)38-28-32-43(33-29-38)52(40-20-10-3-11-21-40,41-22-12-4-13-23-41)42-24-14-5-15-25-42;/h1-33H,34H2;1H/q+1;/p-1