3-[[2-decoxy-3-(6-oxidanylidenehexylsulfanyl)propoxy]-oxidanyl-phosphoryl]propanoic acid

Systemtic Name: 3-[[2-decoxy-3-(6-oxidanylidenehexylsulfanyl)propoxy]-oxidanyl-phosphoryl]propanoic acid Openeye Name: 3-[[2-decoxy-3-(6-oxohexylsulfanyl)propoxy]-hydroxy-phosphoryl]propanoic acid CAS Name: 3-[[2-decoxy-3-(6-oxohexylthio)propoxy]-hydroxyphosphoryl]propanoic acid IUPAC Name: 3-[[2-decoxy-3-(6-oxohexylsulfanyl)propoxy]-hydroxyphosphoryl]propanoic acid Traditional Name: 3-[[2-decoxy-3-(6-ketohexylthio)propoxy]-hydroxy-phosphoryl]propionic acid Formula: C22H43O7PS MolecularWeight: 482.611381

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H43O7PS/c1-2-3-4-5-6-7-9-12-16-28-21(20-31-18-13-10-8-11-15-23)19-29-30(26,27)17-14-22(24)25/h15,21H,2-14,16-20H2,1H3,(H,24,25)(H,26,27)