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

Systemtic Name: [1-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-3-heptadecanoyloxy-propan-2-yl] hexacosanoate Openeye Name: [1-[[2-aminoethoxy(hydroxy)phosphoryl]oxymethyl]-2-heptadecanoyloxy-ethyl] hexacosanoate CAS Name: hexacosanoic acid [1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-(1-oxoheptadecoxy)propan-2-yl] ester IUPAC Name: [1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-heptadecanoyloxypropan-2-yl] hexacosanoate Traditional Name: cerotic acid [1-[[2-aminoethoxy(hydroxy)phosphoryl]oxymethyl]-2-heptadecanoyloxy-ethyl] ester Formula: C48H96NO8P MolecularWeight: 846.251501

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C48H96NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-29-31-33-35-37-39-41-48(51)57-46(45-56-58(52,53)55-43-42-49)44-54-47(50)40-38-36-34-32-30-28-18-16-14-12-10-8-6-4-2/h46H,3-45,49H2,1-2H3,(H,52,53)