1,1,1-tris(chloranyl)octan-4-one

Systemtic Name: 1,1,1-tris(chloranyl)octan-4-one Openeye Name: 1,1,1-trichlorooctan-4-one CAS Name: 1,1,1-trichloro-4-octanone IUPAC Name: 1,1,1-trichlorooctan-4-one Traditional Name: 1,1,1-trichlorooctan-4-one Formula: C8H13Cl3O MolecularWeight: 231.54722

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)CCC(Cl)(Cl)Cl

Isomeric SMILES

CCCCC(=O)CCC(Cl)(Cl)Cl

InChI

InChI=1S/C8H13Cl3O/c1-2-3-4-7(12)5-6-8(9,10)11/h2-6H2,1H3