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

Systemtic Name: tetrakis[(4-methoxyphenyl)-octyl-amino]phosphanium iodide Openeye Name: tetrakis(4-methoxy-N-octyl-anilino)phosphonium iodide CAS Name: tetrakis(4-methoxy-N-octylanilino)phosphonium iodide IUPAC Name: tetrakis(4-methoxy-N-octylanilino)phosphanium iodide Traditional Name: tetrakis(4-methoxy-N-octyl-anilino)phosphonium iodide Formula: C60H96IN4O4P MolecularWeight: 1095.306871

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C60H96N4O4P.HI/c1-9-13-17-21-25-29-49-61(53-33-41-57(65-5)42-34-53)69(62(50-30-26-22-18-14-10-2)54-35-43-58(66-6)44-36-54,63(51-31-27-23-19-15-11-3)55-37-45-59(67-7)46-38-55)64(52-32-28-24-20-16-12-4)56-39-47-60(68-8)48-40-56;/h33-48H,9-32,49-52H2,1-8H3;1H/q+1;/p-1