[(2R)-3-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-2-octadec-9-ynoyloxy-propyl] octadec-9-ynoate

Systemtic Name: [(2R)-3-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-2-octadec-9-ynoyloxy-propyl] octadec-9-ynoate Openeye Name: [(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-octadec-9-ynoyloxy-propyl] octadec-9-ynoate CAS Name: 9-octadecynoic acid [(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-(1-oxooctadec-9-ynoxy)propyl] ester IUPAC Name: [(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-octadec-9-ynoyloxypropyl] octadec-9-ynoate Traditional Name: octadec-9-ynoic acid [(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-octadec-9-ynoyloxy-propyl] ester Formula: C41H74NO8P MolecularWeight: 740.001921

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC#CCCCCCCCC(=O)OCC(COP(=O)(O)OCCN)OC(=O)CCCCCCCC#CCCCCCCCC

Isomeric SMILES

CCCCCCCCC#CCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCC#CCCCCCCCC

InChI

InChI=1S/C41H74NO8P/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/h39H,3-16,21-38,42H2,1-2H3,(H,45,46)/t39-/m1/s1