(2-heptadecanethioyloxy-3-hexadecanoyloxy-propyl) 2-(trimethylazaniumyl)ethyl phosphate

Systemtic Name: (2-heptadecanethioyloxy-3-hexadecanoyloxy-propyl) 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: (2-heptadecanethioyloxy-3-hexadecanoyloxy-propyl) 2-(trimethylammonio)ethyl phosphate CAS Name: [3-(1-oxohexadecoxy)-2-(1-sulfanylideneheptadecoxy)propyl] 2-(trimethylammonio)ethyl phosphate IUPAC Name: (2-heptadecanethioyloxy-3-hexadecanoyloxypropyl) 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: (2-heptadecanethioyloxy-3-hexadecanoyloxy-propyl) 2-(trimethylammonio)ethyl phosphate Formula: C41H82NO7PS MolecularWeight: 764.131041

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(=S)OC(COC(=O)CCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCC(=S)OC(COC(=O)CCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C

InChI

InChI=1S/C41H82NO7PS/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-41(51)49-39(38-48-50(44,45)47-36-35-42(3,4)5)37-46-40(43)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h39H,6-38H2,1-5H3