disodium 2-azanyl-3-[2,3-bis[[(E)-octadec-9-enoyl]oxy]propoxy-oxidanidyl-phosphoryl]oxy-propanoate

Systemtic Name: disodium 2-azanyl-3-[2,3-bis[[(E)-octadec-9-enoyl]oxy]propoxy-oxidanidyl-phosphoryl]oxy-propanoate Openeye Name: disodium 2-amino-3-[2,3-bis[[(E)-octadec-9-enoyl]oxy]propoxy-oxido-phosphoryl]oxy-propanoate CAS Name: disodium 2-amino-3-[2,3-bis[(E)-1-oxooctadec-9-enoxy]propoxy-oxidophosphoryl]oxypropanoate IUPAC Name: disodium 2-amino-3-[2,3-bis[[(E)-octadec-9-enoyl]oxy]propoxy-oxidophosphoryl]oxypropanoate Traditional Name: disodium 2-amino-3-[2,3-bis[[(E)-octadec-9-enoyl]oxy]propoxy-oxido-phosphoryl]oxy-propionate Formula: C42H76NNa2O10P MolecularWeight: 832.006841

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)([O-])OCC(C(=O)[O-])N)OC(=O)CCCCCCCC=CCCCCCCCC.[Na+].[Na+]

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)OCC(COP(=O)([O-])OCC(C(=O)[O-])N)OC(=O)CCCCCCC/C=C/CCCCCCCC.[Na+].[Na+]

InChI

InChI=1S/C42H78NO10P.2Na/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;;/h17-20,38-39H,3-16,21-37,43H2,1-2H3,(H,46,47)(H,48,49);;/q;2*+1/p-2/b19-17+,20-18+;;