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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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