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

Systemtic Name: (2S)-2-azaniumyl-3-[[3-octadecanoyloxy-2-[(Z)-octadec-9-enoyl]oxy-propoxy]-oxidanidyl-phosphoryl]oxy-propanoate Openeye Name: (2S)-2-azaniumyl-3-[[3-octadecanoyloxy-2-[(Z)-octadec-9-enoyl]oxy-propoxy]-oxido-phosphoryl]oxy-propanoate CAS Name: (2S)-2-ammonio-3-[oxido-[2-[(Z)-1-oxooctadec-9-enoxy]-3-(1-oxooctadecoxy)propoxy]phosphoryl]oxypropanoate IUPAC Name: (2S)-2-azaniumyl-3-[[3-octadecanoyloxy-2-[(Z)-octadec-9-enoyl]oxypropoxy]-oxidophosphoryl]oxypropanoate Traditional Name: (2S)-2-ammonio-3-[[2-[(Z)-octadec-9-enoyl]oxy-3-stearoyloxy-propoxy]-oxido-phosphoryl]oxy-propionate Formula: C42H79NO10P- MolecularWeight: 789.051121

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C42H80NO10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(44)50-35-38(36-51-54(48,49)52-37-39(43)42(46)47)53-41(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h18,20,38-39H,3-17,19,21-37,43H2,1-2H3,(H,46,47)(H,48,49)/p-1/b20-18-/t38?,39-/m0/s1