2-acetyloxybenzoic acid; 2,3-di(hexadecanoyloxy)propyl 2-(trimethylazaniumyl)ethyl phosphate

Systemtic Name: 2-acetyloxybenzoic acid; 2,3-di(hexadecanoyloxy)propyl 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: 2-acetoxybenzoic acid; 2,3-di(hexadecanoyloxy)propyl 2-(trimethylammonio)ethyl phosphate CAS Name: 2-acetyloxybenzoic acid; 2,3-bis(1-oxohexadecoxy)propyl 2-(trimethylammonio)ethyl phosphate IUPAC Name: 2-acetyloxybenzoic acid; 2,3-di(hexadecanoyloxy)propyl 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: 2-acetoxybenzoic acid; 2,3-di(hexadecanoyloxy)propyl 2-(trimethylammonio)ethyl phosphate Formula: C49H88NO12P MolecularWeight: 914.196281

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCC.CC(=O)OC1=CC=CC=C1C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCC.CC(=O)OC1=CC=CC=C1C(=O)O

InChI

InChI=1S/C40H80NO8P.C9H8O4/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-39(42)46-36-38(37-48-50(44,45)47-35-34-41(3,4)5)49-40(43)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2;1-6(10)13-8-5-3-2-4-7(8)9(11)12/h38H,6-37H2,1-5H3;2-5H,1H3,(H,11,12)