[4-[(4-methoxycarbonylphenyl)diazenyl]phenyl]methyl-triphenyl-phosphanium bromide

Systemtic Name: [4-[(4-methoxycarbonylphenyl)diazenyl]phenyl]methyl-triphenyl-phosphanium bromide Openeye Name: [4-(4-methoxycarbonylphenyl)azophenyl]methyl-triphenyl-phosphonium bromide CAS Name: [4-(4-methoxycarbonylphenyl)azophenyl]methyl-triphenylphosphonium bromide IUPAC Name: [4-[(4-methoxycarbonylphenyl)diazenyl]phenyl]methyl-triphenylphosphanium bromide Traditional Name: [4-(4-carbomethoxyphenyl)azobenzyl]-triphenyl-phosphonium bromide Formula: C33H28BrN2O2P MolecularWeight: 595.465381

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)N=NC2=CC=C(C=C2)C[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5.[Br-]

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)N=NC2=CC=C(C=C2)C[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5.[Br-]

InChI

InChI=1S/C33H28N2O2P.BrH/c1-37-33(36)27-19-23-29(24-20-27)35-34-28-21-17-26(18-22-28)25-38(30-11-5-2-6-12-30,31-13-7-3-8-14-31)32-15-9-4-10-16-32;/h2-24H,25H2,1H3;1H/q+1;/p-1