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

Systemtic Name: [1-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-3-nonadecanoyloxy-propan-2-yl] hexacosanoate Openeye Name: [1-[[2-aminoethoxy(hydroxy)phosphoryl]oxymethyl]-2-nonadecanoyloxy-ethyl] hexacosanoate CAS Name: hexacosanoic 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] hexacosanoate Traditional Name: cerotic acid [1-[[2-aminoethoxy(hydroxy)phosphoryl]oxymethyl]-2-nonadecanoyloxy-ethyl] ester Formula: C50H100NO8P MolecularWeight: 874.304661

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C50H100NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-25-26-27-29-31-33-35-37-39-41-43-50(53)59-48(47-58-60(54,55)57-45-44-51)46-56-49(52)42-40-38-36-34-32-30-28-20-18-16-14-12-10-8-6-4-2/h48H,3-47,51H2,1-2H3,(H,54,55)