2-[2-butoxycarbonyl-3,4,6-tris(chloranyl)phenoxy]-2-oxidanylidene-ethanoic acid

Systemtic Name: 2-[2-butoxycarbonyl-3,4,6-tris(chloranyl)phenoxy]-2-oxidanylidene-ethanoic acid Openeye Name: 2-(2-butoxycarbonyl-3,4,6-trichloro-phenoxy)-2-oxo-acetic acid CAS Name: 2-[2-[butoxy(oxo)methyl]-3,4,6-trichlorophenoxy]-2-oxoacetic acid IUPAC Name: 2-(2-butoxycarbonyl-3,4,6-trichlorophenoxy)-2-oxoacetic acid Traditional Name: 2-(2-butoxycarbonyl-3,4,6-trichloro-phenoxy)-2-keto-acetic acid Formula: C13H11Cl3O6 MolecularWeight: 369.58184

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=C(C(=CC(=C1Cl)Cl)Cl)OC(=O)C(=O)O

Isomeric SMILES

CCCCOC(=O)C1=C(C(=CC(=C1Cl)Cl)Cl)OC(=O)C(=O)O

InChI

InChI=1S/C13H11Cl3O6/c1-2-3-4-21-12(19)8-9(16)6(14)5-7(15)10(8)22-13(20)11(17)18/h5H,2-4H2,1H3,(H,17,18)