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

Systemtic Name: 4-methylpentyl 2,2,2-tris(chloranyl)ethanoate Openeye Name: isohexyl 2,2,2-trichloroacetate CAS Name: 2,2,2-trichloroacetic acid 4-methylpentyl ester IUPAC Name: 4-methylpentyl 2,2,2-trichloroacetate Traditional Name: 2,2,2-trichloroacetic acid isohexyl ester Formula: C8H13Cl3O2 MolecularWeight: 247.54662

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCOC(=O)C(Cl)(Cl)Cl

Isomeric SMILES

CC(C)CCCOC(=O)C(Cl)(Cl)Cl

InChI

InChI=1S/C8H13Cl3O2/c1-6(2)4-3-5-13-7(12)8(9,10)11/h6H,3-5H2,1-2H3