disodium [[(2R)-3-hexadecylsulfanyl-2-oxidanyl-propoxy]-oxidanidyl-phosphoryl]methanoate

Systemtic Name: disodium [[(2R)-3-hexadecylsulfanyl-2-oxidanyl-propoxy]-oxidanidyl-phosphoryl]methanoate Openeye Name: disodium [[(2R)-3-hexadecylsulfanyl-2-hydroxy-propoxy]-oxido-phosphoryl]formate CAS Name: disodium [[(2R)-3-(hexadecylthio)-2-hydroxypropoxy]-oxidophosphoryl]formate IUPAC Name: disodium [[(2R)-3-hexadecylsulfanyl-2-hydroxypropoxy]-oxidophosphoryl]formate Traditional Name: disodium [[(2R)-3-(cetylthio)-2-hydroxy-propoxy]-oxido-phosphoryl]formate Formula: C20H39Na2O6PS MolecularWeight: 484.538361

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H41O6PS.2Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-28-18-19(21)17-26-27(24,25)20(22)23;;/h19,21H,2-18H2,1H3,(H,22,23)(H,24,25);;/q;2*+1/p-2/t19-;;/m1../s1