sodium (2-ethoxy-3-hexadecylsulfanyl-propyl) 2-(trimethylazaniumyl)ethyl phosphate

Systemtic Name: sodium (2-ethoxy-3-hexadecylsulfanyl-propyl) 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: sodium (2-ethoxy-3-hexadecylsulfanyl-propyl) 2-(trimethylammonio)ethyl phosphate CAS Name: sodium [2-ethoxy-3-(hexadecylthio)propyl] 2-(trimethylammonio)ethyl phosphate IUPAC Name: sodium (2-ethoxy-3-hexadecylsulfanylpropyl) 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: sodium [3-(cetylthio)-2-ethoxy-propyl] 2-(trimethylammonio)ethyl phosphate Formula: C26H56NNaO5PS+ MolecularWeight: 548.755071

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCSCC(COP(=O)([O-])OCC[N+](C)(C)C)OCC.[Na+]

Isomeric SMILES

CCCCCCCCCCCCCCCCSCC(COP(=O)([O-])OCC[N+](C)(C)C)OCC.[Na+]

InChI

InChI=1S/C26H56NO5PS.Na/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-23-34-25-26(30-7-2)24-32-33(28,29)31-22-21-27(3,4)5;/h26H,6-25H2,1-5H3;/q;+1