3-[[2-decoxy-3-(5-oxidanylidenepentylsulfanyl)propoxy]-oxidanyl-phosphoryl]propanoic acid

Systemtic Name: 3-[[2-decoxy-3-(5-oxidanylidenepentylsulfanyl)propoxy]-oxidanyl-phosphoryl]propanoic acid Openeye Name: 3-[[2-decoxy-3-(5-oxopentylsulfanyl)propoxy]-hydroxy-phosphoryl]propanoic acid CAS Name: 3-[[2-decoxy-3-(5-oxopentylthio)propoxy]-hydroxyphosphoryl]propanoic acid IUPAC Name: 3-[[2-decoxy-3-(5-oxopentylsulfanyl)propoxy]-hydroxyphosphoryl]propanoic acid Traditional Name: 3-[[2-decoxy-3-(5-ketopentylthio)propoxy]-hydroxy-phosphoryl]propionic acid Formula: C21H41O7PS MolecularWeight: 468.584801

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC(COP(=O)(CCC(=O)O)O)CSCCCCC=O

Isomeric SMILES

CCCCCCCCCCOC(COP(=O)(CCC(=O)O)O)CSCCCCC=O

InChI

InChI=1S/C21H41O7PS/c1-2-3-4-5-6-7-8-11-15-27-20(19-30-17-12-9-10-14-22)18-28-29(25,26)16-13-21(23)24/h14,20H,2-13,15-19H2,1H3,(H,23,24)(H,25,26)