3,4,4-tris(chloranyl)-1-(2,5-dimethylphenyl)but-3-en-1-one

Systemtic Name: 3,4,4-tris(chloranyl)-1-(2,5-dimethylphenyl)but-3-en-1-one Openeye Name: 3,4,4-trichloro-1-(2,5-dimethylphenyl)but-3-en-1-one CAS Name: 3,4,4-trichloro-1-(2,5-dimethylphenyl)-3-buten-1-one IUPAC Name: 3,4,4-trichloro-1-(2,5-dimethylphenyl)but-3-en-1-one Traditional Name: 3,4,4-trichloro-1-(2,5-dimethylphenyl)but-3-en-1-one Formula: C12H11Cl3O MolecularWeight: 277.57414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(=O)CC(=C(Cl)Cl)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(=O)CC(=C(Cl)Cl)Cl

InChI

InChI=1S/C12H11Cl3O/c1-7-3-4-8(2)9(5-7)11(16)6-10(13)12(14)15/h3-5H,6H2,1-2H3