[3-hexadecoxy-2-(hexadecoxymethyl)-2-methyl-propyl] 6-triphenylphosphaniumylhexyl phosphate

Systemtic Name: [3-hexadecoxy-2-(hexadecoxymethyl)-2-methyl-propyl] 6-triphenylphosphaniumylhexyl phosphate Openeye Name: [3-hexadecoxy-2-(hexadecoxymethyl)-2-methyl-propyl] 6-triphenylphosphaniumylhexyl phosphate CAS Name: [3-hexadecoxy-2-(hexadecoxymethyl)-2-methylpropyl] 6-triphenylphosphiniumylhexyl phosphate IUPAC Name: [3-hexadecoxy-2-(hexadecoxymethyl)-2-methylpropyl] 6-triphenylphosphaniumylhexyl phosphate Traditional Name: [3-cetyloxy-2-(cetyloxymethyl)-2-methyl-propyl] 6-triphenylphosphiniumylhexyl phosphate Formula: C61H102O6P2 MolecularWeight: 993.406502

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCC(C)(COCCCCCCCCCCCCCCCC)COP(=O)([O-])OCCCCCC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCCCCCCCCCCCCCCCOCC(C)(COCCCCCCCCCCCCCCCC)COP(=O)([O-])OCCCCCC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C61H102O6P2/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-41-51-64-55-61(3,56-65-52-42-29-27-25-23-21-19-17-15-13-11-9-7-5-2)57-67-69(62,63)66-53-43-30-31-44-54-68(58-45-35-32-36-46-58,59-47-37-33-38-48-59)60-49-39-34-40-50-60/h32-40,45-50H,4-31,41-44,51-57H2,1-3H3