[(2R)-3-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-2-hexadecanoyloxy-propyl] (E)-octadec-4-enoate

Systemtic Name: [(2R)-3-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-2-hexadecanoyloxy-propyl] (E)-octadec-4-enoate Openeye Name: [(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-hexadecanoyloxy-propyl] (E)-octadec-4-enoate CAS Name: (E)-4-octadecenoic acid [(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-(1-oxohexadecoxy)propyl] ester IUPAC Name: [(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-hexadecanoyloxypropyl] (E)-octadec-4-enoate Traditional Name: (E)-octadec-4-enoic acid [(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-hexadecanoyloxy-propyl] ester Formula: C39H76NO8P MolecularWeight: 717.996401

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCC=CCCCCCCCCCCCCC)COP(=O)(O)OCCN

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CC/C=C/CCCCCCCCCCCCC)COP(=O)(O)OCCN

InChI

InChI=1S/C39H76NO8P/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-38(41)45-35-37(36-47-49(43,44)46-34-33-40)48-39(42)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h25,27,37H,3-24,26,28-36,40H2,1-2H3,(H,43,44)/b27-25+/t37-/m1/s1