(3-heptanoyloxy-2-hexanethioyloxy-propyl) 2-(trimethylazaniumyl)ethyl phosphate

Systemtic Name: (3-heptanoyloxy-2-hexanethioyloxy-propyl) 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: (3-heptanoyloxy-2-hexanethioyloxy-propyl) 2-(trimethylammonio)ethyl phosphate CAS Name: [3-(1-oxoheptoxy)-2-(1-sulfanylidenehexoxy)propyl] 2-(trimethylammonio)ethyl phosphate IUPAC Name: (3-heptanoyloxy-2-hexanethioyloxypropyl) 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: (3-enanthyloxy-2-hexanethioyloxy-propyl) 2-(trimethylammonio)ethyl phosphate Formula: C21H42NO7PS MolecularWeight: 483.599441

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=S)CCCCC

Isomeric SMILES

CCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=S)CCCCC

InChI

InChI=1S/C21H42NO7PS/c1-6-8-10-12-13-20(23)26-17-19(29-21(31)14-11-9-7-2)18-28-30(24,25)27-16-15-22(3,4)5/h19H,6-18H2,1-5H3