(4-butoxyphenyl) 2,2,2-tris(chloranyl)ethanoate

Systemtic Name: (4-butoxyphenyl) 2,2,2-tris(chloranyl)ethanoate Openeye Name: (4-butoxyphenyl) 2,2,2-trichloroacetate CAS Name: 2,2,2-trichloroacetic acid (4-butoxyphenyl) ester IUPAC Name: (4-butoxyphenyl) 2,2,2-trichloroacetate Traditional Name: 2,2,2-trichloroacetic acid (4-butoxyphenyl) ester Formula: C12H13Cl3O3 MolecularWeight: 311.58882

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)OC(=O)C(Cl)(Cl)Cl

Isomeric SMILES

CCCCOC1=CC=C(C=C1)OC(=O)C(Cl)(Cl)Cl

InChI

InChI=1S/C12H13Cl3O3/c1-2-3-8-17-9-4-6-10(7-5-9)18-11(16)12(13,14)15/h4-7H,2-3,8H2,1H3