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

Systemtic Name: 3-[(2-decoxy-3-hexylsulfanyl-propoxy)-oxidanyl-phosphoryl]propanoic acid Openeye Name: 3-[(2-decoxy-3-hexylsulfanyl-propoxy)-hydroxy-phosphoryl]propanoic acid CAS Name: 3-[[2-decoxy-3-(hexylthio)propoxy]-hydroxyphosphoryl]propanoic acid IUPAC Name: 3-[(2-decoxy-3-hexylsulfanylpropoxy)-hydroxyphosphoryl]propanoic acid Traditional Name: 3-[[2-decoxy-3-(hexylthio)propoxy]-hydroxy-phosphoryl]propionic acid Formula: C22H45O6PS MolecularWeight: 468.627861

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC(COP(=O)(CCC(=O)O)O)CSCCCCCC

Isomeric SMILES

CCCCCCCCCCOC(COP(=O)(CCC(=O)O)O)CSCCCCCC

InChI

InChI=1S/C22H45O6PS/c1-3-5-7-9-10-11-12-13-16-27-21(20-30-18-14-8-6-4-2)19-28-29(25,26)17-15-22(23)24/h21H,3-20H2,1-2H3,(H,23,24)(H,25,26)