[(2R)-1-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-3-icosanoyloxy-propan-2-yl] (Z)-tetracos-15-enoate

Systemtic Name: [(2R)-1-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-3-icosanoyloxy-propan-2-yl] (Z)-tetracos-15-enoate Openeye Name: [(1R)-1-[[2-aminoethoxy(hydroxy)phosphoryl]oxymethyl]-2-icosanoyloxy-ethyl] (Z)-tetracos-15-enoate CAS Name: (Z)-15-tetracosenoic acid [(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-(1-oxoeicosoxy)propan-2-yl] ester IUPAC Name: [(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-icosanoyloxypropan-2-yl] (Z)-tetracos-15-enoate Traditional Name: (Z)-tetracos-15-enoic acid [(1R)-1-[[2-aminoethoxy(hydroxy)phosphoryl]oxymethyl]-2-eicosanoyloxy-ethyl] ester Formula: C49H96NO8P MolecularWeight: 858.262201

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCCCC=CCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC

InChI

InChI=1S/C49H96NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-40-42-49(52)58-47(46-57-59(53,54)56-44-43-50)45-55-48(51)41-39-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h17,19,47H,3-16,18,20-46,50H2,1-2H3,(H,53,54)/b19-17-/t47-/m1/s1