[2-hexadecanoyloxy-3-[(4-hexoxyphenyl)-diphenyl-methoxy]propyl] 2-(trimethylazaniumyl)ethyl phosphate

Systemtic Name: [2-hexadecanoyloxy-3-[(4-hexoxyphenyl)-diphenyl-methoxy]propyl] 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: [2-hexadecanoyloxy-3-[(4-hexoxyphenyl)-diphenyl-methoxy]propyl] 2-(trimethylammonio)ethyl phosphate CAS Name: [3-[(4-hexoxyphenyl)-diphenylmethoxy]-2-(1-oxohexadecoxy)propyl] 2-(trimethylammonio)ethyl phosphate IUPAC Name: [2-hexadecanoyloxy-3-[(4-hexoxyphenyl)-diphenylmethoxy]propyl] 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: [2-hexadecanoyloxy-3-[(4-hexoxyphenyl)-diphenyl-methoxy]propyl] 2-(trimethylammonio)ethyl phosphate Formula: C49H76NO8P MolecularWeight: 838.103401

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OC(COC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=C(C=C3)OCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OC(COC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=C(C=C3)OCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C

InChI

InChI=1S/C49H76NO8P/c1-6-8-10-12-13-14-15-16-17-18-19-20-27-33-48(51)58-47(42-57-59(52,53)56-40-38-50(3,4)5)41-55-49(43-29-23-21-24-30-43,44-31-25-22-26-32-44)45-34-36-46(37-35-45)54-39-28-11-9-7-2/h21-26,29-32,34-37,47H,6-20,27-28,33,38-42H2,1-5H3