2-azaniumyl-3-[[3-docosanoyloxy-2-[(Z)-octadec-9-enoyl]oxy-propoxy]-oxidanidyl-phosphoryl]oxy-propanoate

Systemtic Name: 2-azaniumyl-3-[[3-docosanoyloxy-2-[(Z)-octadec-9-enoyl]oxy-propoxy]-oxidanidyl-phosphoryl]oxy-propanoate Openeye Name: 2-azaniumyl-3-[[3-docosanoyloxy-2-[(Z)-octadec-9-enoyl]oxy-propoxy]-oxido-phosphoryl]oxy-propanoate CAS Name: 2-ammonio-3-[oxido-[3-(1-oxodocosoxy)-2-[(Z)-1-oxooctadec-9-enoxy]propoxy]phosphoryl]oxypropanoate IUPAC Name: 2-azaniumyl-3-[[3-docosanoyloxy-2-[(Z)-octadec-9-enoyl]oxypropoxy]-oxidophosphoryl]oxypropanoate Traditional Name: 2-ammonio-3-[[3-docosanoyloxy-2-[(Z)-octadec-9-enoyl]oxy-propoxy]-oxido-phosphoryl]oxy-propionate Formula: C46H87NO10P- MolecularWeight: 845.157441

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC(C(=O)[O-])[NH3+])OC(=O)CCCCCCCC=CCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC(C(=O)[O-])[NH3+])OC(=O)CCCCCCC/C=C\CCCCCCCC

InChI

InChI=1S/C46H88NO10P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-44(48)54-39-42(40-55-58(52,53)56-41-43(47)46(50)51)57-45(49)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h18,23,42-43H,3-17,19-22,24-41,47H2,1-2H3,(H,50,51)(H,52,53)/p-1/b23-18-