9,10b-dihydropyren-1-yl-[2-(4-diphenylphosphanylphenoxy)ethyl]-diphenyl-phosphanium iodide

Systemtic Name: 9,10b-dihydropyren-1-yl-[2-(4-diphenylphosphanylphenoxy)ethyl]-diphenyl-phosphanium iodide Openeye Name: 9,10b-dihydropyren-1-yl-[2-(4-diphenylphosphanylphenoxy)ethyl]-diphenyl-phosphonium iodide CAS Name: 9,10b-dihydropyren-1-yl-[2-(4-diphenylphosphinophenoxy)ethyl]-diphenylphosphonium iodide IUPAC Name: 9,10b-dihydropyren-1-yl-[2-(4-diphenylphosphanylphenoxy)ethyl]-diphenylphosphanium iodide Traditional Name: 9,10b-dihydropyren-1-yl-[2-(4-diphenylphosphinophenoxy)ethyl]-diphenyl-phosphonium iodide Formula: C48H39IOP2 MolecularWeight: 820.674652

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Descriptors Computed from Structure

Canonical SMILES:

C1C=C2C3C(=CC=C2[P+](CCOC4=CC=C(C=C4)P(C5=CC=CC=C5)C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8)C=CC9=C3C1=CC=C9.[I-]

Isomeric SMILES

C1C=C2C3C(=CC=C2[P+](CCOC4=CC=C(C=C4)P(C5=CC=CC=C5)C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8)C=CC9=C3C1=CC=C9.[I-]

InChI

InChI=1S/C48H39OP2.HI/c1-5-16-40(17-6-1)50(41-18-7-2-8-19-41)42-30-28-39(29-31-42)49-34-35-51(43-20-9-3-10-21-43,44-22-11-4-12-23-44)46-33-27-38-25-24-36-14-13-15-37-26-32-45(46)48(38)47(36)37;/h1-25,27-33,48H,26,34-35H2;1H/q+1;/p-1