2-azaniumyl-3-[[2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-3-tetracosanoyloxy-propoxy]-oxidanidyl-phosphoryl]oxy-propanoate

Systemtic Name: 2-azaniumyl-3-[[2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-3-tetracosanoyloxy-propoxy]-oxidanidyl-phosphoryl]oxy-propanoate Openeye Name: 2-azaniumyl-3-[[2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-3-tetracosanoyloxy-propoxy]-oxido-phosphoryl]oxy-propanoate CAS Name: 2-ammonio-3-[oxido-[2-[(9Z,12Z)-1-oxooctadeca-9,12-dienoxy]-3-(1-oxotetracosoxy)propoxy]phosphoryl]oxypropanoate IUPAC Name: 2-azaniumyl-3-[[2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-3-tetracosanoyloxypropoxy]-oxidophosphoryl]oxypropanoate Traditional Name: 2-ammonio-3-[[2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-3-tetracosanoyloxy-propoxy]-oxido-phosphoryl]oxy-propionate Formula: C48H89NO10P- MolecularWeight: 871.194721

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC(C(=O)[O-])[NH3+])OC(=O)CCCCCCCC=CCC=CCCCCC

Isomeric SMILES

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

InChI

InChI=1S/C48H90NO10P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-27-29-31-33-35-37-39-46(50)56-41-44(42-57-60(54,55)58-43-45(49)48(52)53)59-47(51)40-38-36-34-32-30-28-25-18-16-14-12-10-8-6-4-2/h12,14,18,25,44-45H,3-11,13,15-17,19-24,26-43,49H2,1-2H3,(H,52,53)(H,54,55)/p-1/b14-12-,25-18-