[(2R)-1-[2-(hexadecanoylamino)ethoxy-oxidanyl-phosphoryl]oxy-3-hexadecoxy-propan-2-yl] (Z)-octadec-9-enoate

Systemtic Name: [(2R)-1-[2-(hexadecanoylamino)ethoxy-oxidanyl-phosphoryl]oxy-3-hexadecoxy-propan-2-yl] (Z)-octadec-9-enoate Openeye Name: [(1R)-1-[[2-(hexadecanoylamino)ethoxy-hydroxy-phosphoryl]oxymethyl]-2-hexadecoxy-ethyl] (Z)-octadec-9-enoate CAS Name: (Z)-9-octadecenoic acid [(2R)-1-hexadecoxy-3-[hydroxy-[2-(1-oxohexadecylamino)ethoxy]phosphoryl]oxypropan-2-yl] ester IUPAC Name: [(2R)-1-[2-(hexadecanoylamino)ethoxy-hydroxyphosphoryl]oxy-3-hexadecoxypropan-2-yl] (Z)-octadec-9-enoate Traditional Name: (Z)-octadec-9-enoic acid [(1R)-1-(cetyloxymethyl)-2-[hydroxy(2-palmitamidoethoxy)phosphoryl]oxy-ethyl] ester Formula: C55H108NO8P MolecularWeight: 942.421681

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCC(COP(=O)(O)OCCNC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCC=CCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCOC[C@H](COP(=O)(O)OCCNC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC/C=C\CCCCCCCC

InChI

InChI=1S/C55H108NO8P/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-47-55(58)64-53(51-61-49-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)52-63-65(59,60)62-50-48-56-54(57)46-43-40-37-34-31-28-24-21-18-15-12-9-6-3/h25,27,53H,4-24,26,28-52H2,1-3H3,(H,56,57)(H,59,60)/b27-25-/t53-/m1/s1