[3-dodecylsulfanyl-2-(8-phenylmethoxyoctoxy)propyl] 2-(trimethylazaniumyl)ethyl phosphate

Systemtic Name: [3-dodecylsulfanyl-2-(8-phenylmethoxyoctoxy)propyl] 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: [2-(8-benzyloxyoctoxy)-3-dodecylsulfanyl-propyl] 2-(trimethylammonio)ethyl phosphate CAS Name: [3-(dodecylthio)-2-(8-phenylmethoxyoctoxy)propyl] 2-(trimethylammonio)ethyl phosphate IUPAC Name: [3-dodecylsulfanyl-2-(8-phenylmethoxyoctoxy)propyl] 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: [2-(8-benzoxyoctoxy)-3-(laurylthio)propyl] 2-(trimethylammonio)ethyl phosphate Formula: C35H66NO6PS MolecularWeight: 659.940401

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCSCC(COP(=O)([O-])OCC[N+](C)(C)C)OCCCCCCCCOCC1=CC=CC=C1

Isomeric SMILES

CCCCCCCCCCCCSCC(COP(=O)([O-])OCC[N+](C)(C)C)OCCCCCCCCOCC1=CC=CC=C1

InChI

InChI=1S/C35H66NO6PS/c1-5-6-7-8-9-10-11-14-17-23-30-44-33-35(32-42-43(37,38)41-29-26-36(2,3)4)40-28-22-16-13-12-15-21-27-39-31-34-24-19-18-20-25-34/h18-20,24-25,35H,5-17,21-23,26-33H2,1-4H3