[3-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-2-octadecanoyloxy-propyl] docosanoate

Systemtic Name: [3-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-2-octadecanoyloxy-propyl] docosanoate Openeye Name: [3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-octadecanoyloxy-propyl] docosanoate CAS Name: docosanoic acid [3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-(1-oxooctadecoxy)propyl] ester IUPAC Name: [3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-octadecanoyloxypropyl] docosanoate Traditional Name: behenic acid [3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-stearoyloxy-propyl] ester Formula: C45H90NO8P MolecularWeight: 804.171761

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCCCCCCC

InChI

InChI=1S/C45H90NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h43H,3-42,46H2,1-2H3,(H,49,50)