[3-decanoyloxy-2-(2-oxidanylideneheptadecanethioyloxy)propyl] 2-(trimethylazaniumyl)ethyl phosphate

Systemtic Name: [3-decanoyloxy-2-(2-oxidanylideneheptadecanethioyloxy)propyl] 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: [3-decanoyloxy-2-(2-oxoheptadecanethioyloxy)propyl] 2-(trimethylammonio)ethyl phosphate CAS Name: [3-(1-oxodecoxy)-2-(2-oxo-1-sulfanylideneheptadecoxy)propyl] 2-(trimethylammonio)ethyl phosphate IUPAC Name: [3-decanoyloxy-2-(2-oxoheptadecanethioyloxy)propyl] 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: [3-capryloxy-2-(2-ketoheptadecanethioyloxy)propyl] 2-(trimethylammonio)ethyl phosphate Formula: C35H68NO8PS MolecularWeight: 693.955081

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)C(=S)OC(COC(=O)CCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)C(=S)OC(COC(=O)CCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C

InChI

InChI=1S/C35H68NO8PS/c1-6-8-10-12-14-15-16-17-18-19-21-22-24-26-33(37)35(46)44-32(31-43-45(39,40)42-29-28-36(3,4)5)30-41-34(38)27-25-23-20-13-11-9-7-2/h32H,6-31H2,1-5H3