3-[(2-decoxy-3-octylsulfanyl-propoxy)-oxidanyl-phosphoryl]propanoic acid

Systemtic Name: 3-[(2-decoxy-3-octylsulfanyl-propoxy)-oxidanyl-phosphoryl]propanoic acid Openeye Name: 3-[(2-decoxy-3-octylsulfanyl-propoxy)-hydroxy-phosphoryl]propanoic acid CAS Name: 3-[[2-decoxy-3-(octylthio)propoxy]-hydroxyphosphoryl]propanoic acid IUPAC Name: 3-[(2-decoxy-3-octylsulfanylpropoxy)-hydroxyphosphoryl]propanoic acid Traditional Name: 3-[[2-decoxy-3-(octylthio)propoxy]-hydroxy-phosphoryl]propionic acid Formula: C24H49O6PS MolecularWeight: 496.681021

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC(COP(=O)(CCC(=O)O)O)CSCCCCCCCC

Isomeric SMILES

CCCCCCCCCCOC(COP(=O)(CCC(=O)O)O)CSCCCCCCCC

InChI

InChI=1S/C24H49O6PS/c1-3-5-7-9-11-12-13-15-18-29-23(21-30-31(27,28)19-17-24(25)26)22-32-20-16-14-10-8-6-4-2/h23H,3-22H2,1-2H3,(H,25,26)(H,27,28)