disodium [[(2S)-3-octadecylsulfanyl-2-oxidanyl-propoxy]-oxidanidyl-phosphoryl]methanoate

Systemtic Name: disodium [[(2S)-3-octadecylsulfanyl-2-oxidanyl-propoxy]-oxidanidyl-phosphoryl]methanoate Openeye Name: disodium [[(2S)-2-hydroxy-3-octadecylsulfanyl-propoxy]-oxido-phosphoryl]formate CAS Name: disodium [[(2S)-2-hydroxy-3-(octadecylthio)propoxy]-oxidophosphoryl]formate IUPAC Name: disodium [[(2S)-2-hydroxy-3-octadecylsulfanylpropoxy]-oxidophosphoryl]formate Traditional Name: disodium [[(2S)-2-hydroxy-3-(stearylthio)propoxy]-oxido-phosphoryl]formate Formula: C22H43Na2O6PS MolecularWeight: 512.591521

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCSCC(COP(=O)(C(=O)[O-])[O-])O.[Na+].[Na+]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCSC[C@H](COP(=O)(C(=O)[O-])[O-])O.[Na+].[Na+]

InChI

InChI=1S/C22H45O6PS.2Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-30-20-21(23)19-28-29(26,27)22(24)25;;/h21,23H,2-20H2,1H3,(H,24,25)(H,26,27);;/q;2*+1/p-2/t21-;;/m0../s1