[1-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-3-nonadecanoyloxy-propan-2-yl] henicosanoate

Systemtic Name: [1-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-3-nonadecanoyloxy-propan-2-yl] henicosanoate Openeye Name: [1-[[2-aminoethoxy(hydroxy)phosphoryl]oxymethyl]-2-nonadecanoyloxy-ethyl] henicosanoate CAS Name: heneicosanoic acid [1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-(1-oxononadecoxy)propan-2-yl] ester IUPAC Name: [1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-nonadecanoyloxypropan-2-yl] henicosanoate Traditional Name: heneicosanoic acid [1-[[2-aminoethoxy(hydroxy)phosphoryl]oxymethyl]-2-nonadecanoyloxy-ethyl] ester Formula: C45H90NO8P MolecularWeight: 804.171761

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCCC)COP(=O)(O)OCCN

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCCC)COP(=O)(O)OCCN

InChI

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