[1-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-3-hexadecanoyloxy-propan-2-yl] hexacosanoate

Systemtic Name: [1-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-3-hexadecanoyloxy-propan-2-yl] hexacosanoate Openeye Name: [1-[[2-aminoethoxy(hydroxy)phosphoryl]oxymethyl]-2-hexadecanoyloxy-ethyl] hexacosanoate CAS Name: hexacosanoic acid [1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-(1-oxohexadecoxy)propan-2-yl] ester IUPAC Name: [1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-hexadecanoyloxypropan-2-yl] hexacosanoate Traditional Name: cerotic acid [1-[[2-aminoethoxy(hydroxy)phosphoryl]oxymethyl]-2-hexadecanoyloxy-ethyl] ester Formula: C47H94NO8P MolecularWeight: 832.224921

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COP(=O)(O)OCCN

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COP(=O)(O)OCCN

InChI

InChI=1S/C47H94NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-28-30-32-34-36-38-40-47(50)56-45(44-55-57(51,52)54-42-41-48)43-53-46(49)39-37-35-33-31-29-27-16-14-12-10-8-6-4-2/h45H,3-44,48H2,1-2H3,(H,51,52)