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

Systemtic Name: tris[(4-methylphenyl)-octyl-amino]-[octyl(phenyl)amino]phosphanium iodide Openeye Name: tris(4-methyl-N-octyl-anilino)-(N-octylanilino)phosphonium iodide CAS Name: tris(4-methyl-N-octylanilino)-(N-octylanilino)phosphonium iodide IUPAC Name: tris(4-methyl-N-octylanilino)-(N-octylanilino)phosphanium iodide Traditional Name: tris(4-methyl-N-octyl-anilino)-(N-octylanilino)phosphonium iodide Formula: C59H94IN4P MolecularWeight: 1017.282691

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C59H94N4P.HI/c1-8-12-16-20-24-31-49-60(56-35-29-28-30-36-56)64(61(50-32-25-21-17-13-9-2)57-43-37-53(5)38-44-57,62(51-33-26-22-18-14-10-3)58-45-39-54(6)40-46-58)63(52-34-27-23-19-15-11-4)59-47-41-55(7)42-48-59;/h28-30,35-48H,8-27,31-34,49-52H2,1-7H3;1H/q+1;/p-1