tetrakis[(4-methylphenyl)-octyl-amino]phosphanium iodide

Systemtic Name: tetrakis[(4-methylphenyl)-octyl-amino]phosphanium iodide Openeye Name: tetrakis(4-methyl-N-octyl-anilino)phosphonium iodide CAS Name: tetrakis(4-methyl-N-octylanilino)phosphonium iodide IUPAC Name: tetrakis(4-methyl-N-octylanilino)phosphanium iodide Traditional Name: tetrakis(4-methyl-N-octyl-anilino)phosphonium iodide Formula: C60H96IN4P MolecularWeight: 1031.309271

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN(C1=CC=C(C=C1)C)[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=C(C=C1)C)[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/C60H96N4P.HI/c1-9-13-17-21-25-29-49-61(57-41-33-53(5)34-42-57)65(62(50-30-26-22-18-14-10-2)58-43-35-54(6)36-44-58,63(51-31-27-23-19-15-11-3)59-45-37-55(7)38-46-59)64(52-32-28-24-20-16-12-4)60-47-39-56(8)40-48-60;/h33-48H,9-32,49-52H2,1-8H3;1H/q+1;/p-1