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

Systemtic Name: 3-[(2-decoxy-3-undecylsulfanyl-propoxy)-oxidanyl-phosphoryl]propanoic acid Openeye Name: 3-[(2-decoxy-3-undecylsulfanyl-propoxy)-hydroxy-phosphoryl]propanoic acid CAS Name: 3-[[2-decoxy-3-(undecylthio)propoxy]-hydroxyphosphoryl]propanoic acid IUPAC Name: 3-[(2-decoxy-3-undecylsulfanylpropoxy)-hydroxyphosphoryl]propanoic acid Traditional Name: 3-[[2-decoxy-3-(undecylthio)propoxy]-hydroxy-phosphoryl]propionic acid Formula: C27H55O6PS MolecularWeight: 538.760761

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCSCC(COP(=O)(CCC(=O)O)O)OCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCSCC(COP(=O)(CCC(=O)O)O)OCCCCCCCCCC

InChI

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