[heptyl-(2-methylphenyl)amino]-tris[heptyl(phenyl)amino]phosphanium iodide

Systemtic Name: [heptyl-(2-methylphenyl)amino]-tris[heptyl(phenyl)amino]phosphanium iodide Openeye Name: tris(N-heptylanilino)-(N-heptyl-2-methyl-anilino)phosphonium iodide CAS Name: tris(N-heptylanilino)-(N-heptyl-2-methylanilino)phosphonium iodide IUPAC Name: tris(N-heptylanilino)-(N-heptyl-2-methylanilino)phosphanium iodide Traditional Name: tris(N-heptylanilino)-(N-heptyl-2-methyl-anilino)phosphonium iodide Formula: C53H82IN4P MolecularWeight: 933.123211

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN(C1=CC=CC=C1)[P+](N(CCCCCCC)C2=CC=CC=C2)(N(CCCCCCC)C3=CC=CC=C3)N(CCCCCCC)C4=CC=CC=C4C.[I-]

Isomeric SMILES

CCCCCCCN(C1=CC=CC=C1)[P+](N(CCCCCCC)C2=CC=CC=C2)(N(CCCCCCC)C3=CC=CC=C3)N(CCCCCCC)C4=CC=CC=C4C.[I-]

InChI

InChI=1S/C53H82N4P.HI/c1-6-10-14-18-33-45-54(50-38-25-22-26-39-50)58(55(46-34-19-15-11-7-2)51-40-27-23-28-41-51,56(47-35-20-16-12-8-3)52-42-29-24-30-43-52)57(48-36-21-17-13-9-4)53-44-32-31-37-49(53)5;/h22-32,37-44H,6-21,33-36,45-48H2,1-5H3;1H/q+1;/p-1