[(2R)-1-[butoxy(oxidanyl)phosphoryl]oxy-3-hexadecanoyloxy-propan-2-yl] (Z)-octadec-9-enoate

Systemtic Name: [(2R)-1-[butoxy(oxidanyl)phosphoryl]oxy-3-hexadecanoyloxy-propan-2-yl] (Z)-octadec-9-enoate Openeye Name: [(1R)-1-[[butoxy(hydroxy)phosphoryl]oxymethyl]-2-hexadecanoyloxy-ethyl] (Z)-octadec-9-enoate CAS Name: (Z)-9-octadecenoic acid [(2R)-1-[butoxy(hydroxy)phosphoryl]oxy-3-(1-oxohexadecoxy)propan-2-yl] ester IUPAC Name: [(2R)-1-[butoxy(hydroxy)phosphoryl]oxy-3-hexadecanoyloxypropan-2-yl] (Z)-octadec-9-enoate Traditional Name: (Z)-octadec-9-enoic acid [(1R)-1-[[butoxy(hydroxy)phosphoryl]oxymethyl]-2-hexadecanoyloxy-ethyl] ester Formula: C41H79O8P MolecularWeight: 731.034921

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCCC)OC(=O)CCCCCCCC=CCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCCC)OC(=O)CCCCCCC/C=C\CCCCCCCC

InChI

InChI=1S/C41H79O8P/c1-4-7-10-12-14-16-18-20-21-23-25-27-29-31-33-35-41(43)49-39(38-48-50(44,45)47-36-9-6-3)37-46-40(42)34-32-30-28-26-24-22-19-17-15-13-11-8-5-2/h20-21,39H,4-19,22-38H2,1-3H3,(H,44,45)/b21-20-/t39-/m1/s1