tetrakis[heptyl-(4-methoxyphenyl)amino]phosphanium iodide

Systemtic Name: tetrakis[heptyl-(4-methoxyphenyl)amino]phosphanium iodide Openeye Name: tetrakis(N-heptyl-4-methoxy-anilino)phosphonium iodide CAS Name: tetrakis(N-heptyl-4-methoxyanilino)phosphonium iodide IUPAC Name: tetrakis(N-heptyl-4-methoxyanilino)phosphanium iodide Traditional Name: tetrakis(N-heptyl-4-methoxy-anilino)phosphonium iodide Formula: C56H88IN4O4P MolecularWeight: 1039.200551

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C56H88N4O4P.HI/c1-9-13-17-21-25-45-57(49-29-37-53(61-5)38-30-49)65(58(46-26-22-18-14-10-2)50-31-39-54(62-6)40-32-50,59(47-27-23-19-15-11-3)51-33-41-55(63-7)42-34-51)60(48-28-24-20-16-12-4)52-35-43-56(64-8)44-36-52;/h29-44H,9-28,45-48H2,1-8H3;1H/q+1;/p-1