2,3-di(octadecanoyloxy)propyl [2-phenylmethoxy-3-(trimethylazaniumyl)propyl] phosphate

Systemtic Name: 2,3-di(octadecanoyloxy)propyl [2-phenylmethoxy-3-(trimethylazaniumyl)propyl] phosphate Openeye Name: [2-benzyloxy-3-(trimethylammonio)propyl] 2,3-di(octadecanoyloxy)propyl phosphate CAS Name: 2,3-bis(1-oxooctadecoxy)propyl [2-phenylmethoxy-3-(trimethylammonio)propyl] phosphate IUPAC Name: 2,3-di(octadecanoyloxy)propyl [2-phenylmethoxy-3-(trimethylazaniumyl)propyl] phosphate Traditional Name: [2-benzoxy-3-(trimethylammonio)propyl] 2,3-distearoyloxypropyl phosphate Formula: C52H96NO9P MolecularWeight: 910.293701

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC(C[N+](C)(C)C)OCC1=CC=CC=C1)OC(=O)CCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC(C[N+](C)(C)C)OCC1=CC=CC=C1)OC(=O)CCCCCCCCCCCCCCCCC

InChI

InChI=1S/C52H96NO9P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-37-41-51(54)59-45-50(62-52(55)42-38-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2)47-61-63(56,57)60-46-49(43-53(3,4)5)58-44-48-39-35-34-36-40-48/h34-36,39-40,49-50H,6-33,37-38,41-47H2,1-5H3