tris(4-octadecoxyphenyl)-(phenylmethyl)phosphanium

Systemtic Name: tris(4-octadecoxyphenyl)-(phenylmethyl)phosphanium Openeye Name: benzyl-tris(4-octadecoxyphenyl)phosphonium CAS Name: tris(4-octadecoxyphenyl)-(phenylmethyl)phosphonium IUPAC Name: benzyl-tris(4-octadecoxyphenyl)phosphanium Traditional Name: benzyl-tris(4-stearyloxyphenyl)phosphonium Formula: C79H130O3P+ MolecularWeight: 1158.849461

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1=CC=C(C=C1)[P+](CC2=CC=CC=C2)(C3=CC=C(C=C3)OCCCCCCCCCCCCCCCCCC)C4=CC=C(C=C4)OCCCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=CC=C(C=C1)[P+](CC2=CC=CC=C2)(C3=CC=C(C=C3)OCCCCCCCCCCCCCCCCCC)C4=CC=C(C=C4)OCCCCCCCCCCCCCCCCCC

InChI

InChI=1S/C79H130O3P/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-52-69-80-74-57-63-77(64-58-74)83(72-73-55-50-49-51-56-73,78-65-59-75(60-66-78)81-70-53-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)79-67-61-76(62-68-79)82-71-54-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h49-51,55-68H,4-48,52-54,69-72H2,1-3H3/q+1