molecular iodine; tetrakis[octyl(phenyl)amino]phosphanium; iodide

Systemtic Name: molecular iodine; tetrakis[octyl(phenyl)amino]phosphanium; iodide Openeye Name: molecular iodine; tetrakis(N-octylanilino)phosphonium; iodide CAS Name: molecular iodine; tetrakis(N-octylanilino)phosphonium; iodide IUPAC Name: molecular iodine; tetrakis(N-octylanilino)phosphanium; iodide Traditional Name: molecular iodine; tetrakis(N-octylanilino)phosphonium; iodide Formula: C56H88I7N4P MolecularWeight: 1736.629771

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C56H88N4P.3I2.HI/c1-5-9-13-17-21-37-49-57(53-41-29-25-30-42-53)61(58(54-43-31-26-32-44-54)50-38-22-18-14-10-6-2,59(55-45-33-27-34-46-55)51-39-23-19-15-11-7-3)60(56-47-35-28-36-48-56)52-40-24-20-16-12-8-4;3*1-2;/h25-36,41-48H,5-24,37-40,49-52H2,1-4H3;;;;1H/q+1;;;;/p-1