(1-dodecanoylsulfanyl-3-oxidanyl-propan-2-yl)oxy-phenoxycarbonyl-phosphinic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)SCC(CO)OP(=O)(C(=O)OC1=CC=CC=C1)O

Isomeric SMILES

CCCCCCCCCCCC(=O)SCC(CO)OP(=O)(C(=O)OC1=CC=CC=C1)O

InChI

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