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

Systemtic Name: [1-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-3-heptadecanoyloxy-propan-2-yl] pentacosanoate Openeye Name: [1-[[2-aminoethoxy(hydroxy)phosphoryl]oxymethyl]-2-heptadecanoyloxy-ethyl] pentacosanoate CAS Name: pentacosanoic 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] pentacosanoate Traditional Name: pentacosanoic acid [1-[[2-aminoethoxy(hydroxy)phosphoryl]oxymethyl]-2-heptadecanoyloxy-ethyl] ester Formula: C47H94NO8P MolecularWeight: 832.224921

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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