[1-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-3-hexadecanoyl-3-octadecanoyloxy-4-oxidanylidene-nonadecan-2-yl] octadecanoate

Systemtic Name: [1-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-3-hexadecanoyl-3-octadecanoyloxy-4-oxidanylidene-nonadecan-2-yl] octadecanoate Openeye Name: [1-[[2-aminoethoxy(hydroxy)phosphoryl]oxymethyl]-2-hexadecanoyl-2-octadecanoyloxy-3-oxo-octadecyl] octadecanoate CAS Name: octadecanoic acid [1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-4-oxo-3-(1-oxohexadecyl)-3-(1-oxooctadecoxy)nonadecan-2-yl] ester IUPAC Name: [1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-hexadecanoyl-3-octadecanoyloxy-4-oxononadecan-2-yl] octadecanoate Traditional Name: stearic acid [1-[[2-aminoethoxy(hydroxy)phosphoryl]oxymethyl]-2-hexadecanoyl-3-keto-2-stearoyloxy-octadecyl] ester Formula: C73H142NO10P MolecularWeight: 1224.883041

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OC(COP(=O)(O)OCCN)C(C(=O)CCCCCCCCCCCCCCC)(C(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OC(COP(=O)(O)OCCN)C(C(=O)CCCCCCCCCCCCCCC)(C(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC

InChI

InChI=1S/C73H142NO10P/c1-5-9-13-17-21-25-29-33-35-39-43-47-51-55-59-63-71(77)83-70(67-82-85(79,80)81-66-65-74)73(68(75)61-57-53-49-45-41-37-31-27-23-19-15-11-7-3,69(76)62-58-54-50-46-42-38-32-28-24-20-16-12-8-4)84-72(78)64-60-56-52-48-44-40-36-34-30-26-22-18-14-10-6-2/h70H,5-67,74H2,1-4H3,(H,79,80)