[3-octadecanoyloxy-2-(2-pentylheptanoyloxy)propyl] 2-(trimethylazaniumyl)ethyl phosphate

Systemtic Name: [3-octadecanoyloxy-2-(2-pentylheptanoyloxy)propyl] 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: [3-octadecanoyloxy-2-(2-pentylheptanoyloxy)propyl] 2-(trimethylammonio)ethyl phosphate CAS Name: [3-(1-oxooctadecoxy)-2-(1-oxo-2-pentylheptoxy)propyl] 2-(trimethylammonio)ethyl phosphate IUPAC Name: [3-octadecanoyloxy-2-(2-pentylheptanoyloxy)propyl] 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: [2-(2-amylheptanoyloxy)-3-stearoyloxy-propyl] 2-(trimethylammonio)ethyl phosphate Formula: C38H76NO8P MolecularWeight: 705.985701

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C38H76NO8P/c1-7-10-13-14-15-16-17-18-19-20-21-22-23-24-27-30-37(40)44-33-36(34-46-48(42,43)45-32-31-39(4,5)6)47-38(41)35(28-25-11-8-2)29-26-12-9-3/h35-36H,7-34H2,1-6H3