2-[(2-decoxy-3-dodecylsulfanyl-propoxy)-oxidanyl-phosphoryl]ethanoic acid; sodium

Systemtic Name: 2-[(2-decoxy-3-dodecylsulfanyl-propoxy)-oxidanyl-phosphoryl]ethanoic acid; sodium Openeye Name: 2-[(2-decoxy-3-dodecylsulfanyl-propoxy)-hydroxy-phosphoryl]acetic acid; sodium CAS Name: 2-[[2-decoxy-3-(dodecylthio)propoxy]-hydroxyphosphoryl]acetic acid; sodium IUPAC Name: 2-[(2-decoxy-3-dodecylsulfanylpropoxy)-hydroxyphosphoryl]acetic acid; sodium Traditional Name: 2-[[2-decoxy-3-(laurylthio)propoxy]-hydroxy-phosphoryl]acetic acid; sodium Formula: C27H55Na2O6PS MolecularWeight: 584.740301

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCSCC(COP(=O)(CC(=O)O)O)OCCCCCCCCCC.[Na].[Na]

Isomeric SMILES

CCCCCCCCCCCCSCC(COP(=O)(CC(=O)O)O)OCCCCCCCCCC.[Na].[Na]

InChI

InChI=1S/C27H55O6PS.2Na/c1-3-5-7-9-11-13-14-16-18-20-22-35-25-26(23-33-34(30,31)24-27(28)29)32-21-19-17-15-12-10-8-6-4-2;;/h26H,3-25H2,1-2H3,(H,28,29)(H,30,31);;