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

Systemtic Name: tris[(2-methylphenyl)-octyl-amino]-[octyl(phenyl)amino]phosphanium iodide Openeye Name: tris(2-methyl-N-octyl-anilino)-(N-octylanilino)phosphonium iodide CAS Name: tris(2-methyl-N-octylanilino)-(N-octylanilino)phosphonium iodide IUPAC Name: tris(2-methyl-N-octylanilino)-(N-octylanilino)phosphanium iodide Traditional Name: tris(2-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=CC=C2C)(N(CCCCCCCC)C3=CC=CC=C3C)N(CCCCCCCC)C4=CC=CC=C4C.[I-]

Isomeric SMILES

CCCCCCCCN(C1=CC=CC=C1)[P+](N(CCCCCCCC)C2=CC=CC=C2C)(N(CCCCCCCC)C3=CC=CC=C3C)N(CCCCCCCC)C4=CC=CC=C4C.[I-]

InChI

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