[3-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-2-octadecanoyloxy-propyl] (Z)-docos-13-enoate

Systemtic Name: [3-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-2-octadecanoyloxy-propyl] (Z)-docos-13-enoate Openeye Name: [3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-octadecanoyloxy-propyl] (Z)-docos-13-enoate CAS Name: (Z)-13-docosenoic acid [3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-(1-oxooctadecoxy)propyl] ester IUPAC Name: [3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-octadecanoyloxypropyl] (Z)-docos-13-enoate Traditional Name: (Z)-docos-13-enoic acid [3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-stearoyloxy-propyl] ester Formula: C45H88NO8P MolecularWeight: 802.155881

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCC=CCCCCCCCC)COP(=O)(O)OCCN

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC/C=C\CCCCCCCC)COP(=O)(O)OCCN

InChI

InChI=1S/C45H88NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h17,19,43H,3-16,18,20-42,46H2,1-2H3,(H,49,50)/b19-17-