disodium [2-(hydroxymethyl)-2-oxidanyl-3-oxidanylidene-octadecyl] 2,3-bis(oxidanyl)-3-phosphonato-propanoate

Systemtic Name: disodium [2-(hydroxymethyl)-2-oxidanyl-3-oxidanylidene-octadecyl] 2,3-bis(oxidanyl)-3-phosphonato-propanoate Openeye Name: disodium [2-hydroxy-2-(hydroxymethyl)-3-oxo-octadecyl] 2,3-dihydroxy-3-phosphonato-propanoate CAS Name: disodium 2,3-dihydroxy-3-phosphonatopropanoic acid [2-hydroxy-2-(hydroxymethyl)-3-oxooctadecyl] ester IUPAC Name: disodium [2-hydroxy-2-(hydroxymethyl)-3-oxooctadecyl] 2,3-dihydroxy-3-phosphonatopropanoate Traditional Name: disodium 2,3-dihydroxy-3-phosphonato-propionic acid (2-hydroxy-3-keto-2-methylol-octadecyl) ester Formula: C22H41Na2O10P MolecularWeight: 542.508241

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)C(CO)(COC(=O)C(C(O)P(=O)([O-])[O-])O)O.[Na+].[Na+]

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)C(CO)(COC(=O)C(C(O)P(=O)([O-])[O-])O)O.[Na+].[Na+]

InChI

InChI=1S/C22H43O10P.2Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(24)22(28,16-23)17-32-20(26)19(25)21(27)33(29,30)31;;/h19,21,23,25,27-28H,2-17H2,1H3,(H2,29,30,31);;/q;2*+1/p-2