2-azanylethyl [(2S)-3-octadecanoyloxy-2-[(Z)-octadec-9-enoyl]oxy-propyl] phosphate

Systemtic Name: 2-azanylethyl [(2S)-3-octadecanoyloxy-2-[(Z)-octadec-9-enoyl]oxy-propyl] phosphate Openeye Name: 2-aminoethyl [(2S)-3-octadecanoyloxy-2-[(Z)-octadec-9-enoyl]oxy-propyl] phosphate CAS Name: 2-aminoethyl [(2S)-2-[(Z)-1-oxooctadec-9-enoxy]-3-(1-oxooctadecoxy)propyl] phosphate IUPAC Name: 2-aminoethyl [(2S)-3-octadecanoyloxy-2-[(Z)-octadec-9-enoyl]oxypropyl] phosphate Traditional Name: 2-aminoethyl [(2S)-2-[(Z)-octadec-9-enoyl]oxy-3-stearoyloxy-propyl] phosphate Formula: C41H79NO8P- MolecularWeight: 745.041621

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCCN)OC(=O)CCCCCCCC=CCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](COP(=O)([O-])OCCN)OC(=O)CCCCCCC/C=C\CCCCCCCC

InChI

InChI=1S/C41H80NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h18,20,39H,3-17,19,21-38,42H2,1-2H3,(H,45,46)/p-1/b20-18-/t39-/m0/s1