(1-oxidanyl-4-oxidanylidene-2-tetradecanoyloxy-heptadecan-3-yl) 2-(trimethylazaniumyl)ethyl phosphate hydrate

Systemtic Name: (1-oxidanyl-4-oxidanylidene-2-tetradecanoyloxy-heptadecan-3-yl) 2-(trimethylazaniumyl)ethyl phosphate hydrate Openeye Name: [1-(2-hydroxy-1-tetradecanoyloxy-ethyl)-2-oxo-pentadecyl] 2-(trimethylammonio)ethyl phosphate hydrate CAS Name: [1-hydroxy-4-oxo-2-(1-oxotetradecoxy)heptadecan-3-yl] 2-(trimethylammonio)ethyl phosphate hydrate IUPAC Name: (1-hydroxy-4-oxo-2-tetradecanoyloxyheptadecan-3-yl) 2-(trimethylazaniumyl)ethyl phosphate hydrate Traditional Name: [1-(2-hydroxy-1-tetradecanoyloxy-ethyl)-2-keto-pentadecyl] 2-(trimethylammonio)ethyl phosphate hydrate Formula: C36H74NO9P MolecularWeight: 695.947821

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(=O)C(C(CO)OC(=O)CCCCCCCCCCCCC)OP(=O)([O-])OCC[N+](C)(C)C.O

Isomeric SMILES

CCCCCCCCCCCCCC(=O)C(C(CO)OC(=O)CCCCCCCCCCCCC)OP(=O)([O-])OCC[N+](C)(C)C.O

InChI

InChI=1S/C36H72NO8P.H2O/c1-6-8-10-12-14-16-18-20-22-24-26-28-33(39)36(45-46(41,42)43-31-30-37(3,4)5)34(32-38)44-35(40)29-27-25-23-21-19-17-15-13-11-9-7-2;/h34,36,38H,6-32H2,1-5H3;1H2