2-azaniumylethyl [2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-3-tetracosanoyloxy-propyl] phosphate

Systemtic Name: 2-azaniumylethyl [2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-3-tetracosanoyloxy-propyl] phosphate Openeye Name: 2-azaniumylethyl [2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-3-tetracosanoyloxy-propyl] phosphate CAS Name: 2-ammonioethyl [2-[(9Z,12Z)-1-oxooctadeca-9,12-dienoxy]-3-(1-oxotetracosoxy)propyl] phosphate IUPAC Name: 2-azaniumylethyl [2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-3-tetracosanoyloxypropyl] phosphate Traditional Name: 2-ammonioethyl [2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-3-tetracosanoyloxy-propyl] phosphate Formula: C47H90NO8P MolecularWeight: 828.193161

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[NH3+])OC(=O)CCCCCCCC=CCC=CCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[NH3+])OC(=O)CCCCCCC/C=C\C/C=C\CCCCC

InChI

InChI=1S/C47H90NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-27-29-31-33-35-37-39-46(49)53-43-45(44-55-57(51,52)54-42-41-48)56-47(50)40-38-36-34-32-30-28-25-18-16-14-12-10-8-6-4-2/h12,14,18,25,45H,3-11,13,15-17,19-24,26-44,48H2,1-2H3,(H,51,52)/b14-12-,25-18-