(3-dodecanoylsulfanyl-2-oxidanyl-propoxy)-phenoxycarbonyl-phosphinic acid

Systemtic Name: (3-dodecanoylsulfanyl-2-oxidanyl-propoxy)-phenoxycarbonyl-phosphinic acid Openeye Name: (3-dodecanoylsulfanyl-2-hydroxy-propoxy)-phenoxycarbonyl-phosphinic acid CAS Name: [2-hydroxy-3-(1-oxododecylthio)propoxy]-[oxo(phenoxy)methyl]phosphinic acid IUPAC Name: (3-dodecanoylsulfanyl-2-hydroxypropoxy)-phenoxycarbonylphosphinic acid Traditional Name: carbophenoxy-[2-hydroxy-3-(lauroylthio)propoxy]phosphinic acid Formula: C22H35O7PS MolecularWeight: 474.547861

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)SCC(COP(=O)(C(=O)OC1=CC=CC=C1)O)O

Isomeric SMILES

CCCCCCCCCCCC(=O)SCC(COP(=O)(C(=O)OC1=CC=CC=C1)O)O

InChI

InChI=1S/C22H35O7PS/c1-2-3-4-5-6-7-8-9-13-16-21(24)31-18-19(23)17-28-30(26,27)22(25)29-20-14-11-10-12-15-20/h10-12,14-15,19,23H,2-9,13,16-18H2,1H3,(H,26,27)