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

Systemtic Name: (1-octanoylsulfanyl-3-oxidanyl-propan-2-yl)oxy-phenoxycarbonyl-phosphinic acid Openeye Name: [1-(hydroxymethyl)-2-octanoylsulfanyl-ethoxy]-phenoxycarbonyl-phosphinic acid CAS Name: [1-hydroxy-3-(1-oxooctylthio)propan-2-yl]oxy-[oxo(phenoxy)methyl]phosphinic acid IUPAC Name: (1-hydroxy-3-octanoylsulfanylpropan-2-yl)oxy-phenoxycarbonylphosphinic acid Traditional Name: [1-[(caprylylthio)methyl]-2-hydroxy-ethoxy]-carbophenoxy-phosphinic acid Formula: C18H27O7PS MolecularWeight: 418.441541

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27O7PS/c1-2-3-4-5-9-12-17(20)27-14-16(13-19)25-26(22,23)18(21)24-15-10-7-6-8-11-15/h6-8,10-11,16,19H,2-5,9,12-14H2,1H3,(H,22,23)