tris[heptyl-(4-methylphenyl)amino]-[heptyl(phenyl)amino]phosphanium iodide

Systemtic Name: tris[heptyl-(4-methylphenyl)amino]-[heptyl(phenyl)amino]phosphanium iodide Openeye Name: (N-heptylanilino)-tris(N-heptyl-4-methyl-anilino)phosphonium iodide CAS Name: (N-heptylanilino)-tris(N-heptyl-4-methylanilino)phosphonium iodide IUPAC Name: (N-heptylanilino)-tris(N-heptyl-4-methylanilino)phosphanium iodide Traditional Name: (N-heptylanilino)-tris(N-heptyl-4-methyl-anilino)phosphonium iodide Formula: C55H86IN4P MolecularWeight: 961.176371

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C55H86N4P.HI/c1-8-12-16-20-27-45-56(52-31-25-24-26-32-52)60(57(46-28-21-17-13-9-2)53-39-33-49(5)34-40-53,58(47-29-22-18-14-10-3)54-41-35-50(6)36-42-54)59(48-30-23-19-15-11-4)55-43-37-51(7)38-44-55;/h24-26,31-44H,8-23,27-30,45-48H2,1-7H3;1H/q+1;/p-1