[3-hexadecylsulfanyl-2-(methoxymethyl)-3-oxidanyl-propyl] 2-(trimethylazaniumyl)ethyl phosphate

Systemtic Name: [3-hexadecylsulfanyl-2-(methoxymethyl)-3-oxidanyl-propyl] 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: [3-hexadecylsulfanyl-3-hydroxy-2-(methoxymethyl)propyl] 2-(trimethylammonio)ethyl phosphate CAS Name: [3-(hexadecylthio)-3-hydroxy-2-(methoxymethyl)propyl] 2-(trimethylammonio)ethyl phosphate IUPAC Name: [3-hexadecylsulfanyl-3-hydroxy-2-(methoxymethyl)propyl] 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: [3-(cetylthio)-3-hydroxy-2-(methoxymethyl)propyl] 2-(trimethylammonio)ethyl phosphate Formula: C26H56NO6PS MolecularWeight: 541.764701

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCSC(C(COC)COP(=O)([O-])OCC[N+](C)(C)C)O

Isomeric SMILES

CCCCCCCCCCCCCCCCSC(C(COC)COP(=O)([O-])OCC[N+](C)(C)C)O

InChI

InChI=1S/C26H56NO6PS/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-35-26(28)25(23-31-5)24-33-34(29,30)32-21-20-27(2,3)4/h25-26,28H,6-24H2,1-5H3