4-chloranyl-1-(3,5-dimethylphenyl)-3-methyl-butan-1-one

Systemtic Name: 4-chloranyl-1-(3,5-dimethylphenyl)-3-methyl-butan-1-one Openeye Name: 4-chloro-1-(3,5-dimethylphenyl)-3-methyl-butan-1-one CAS Name: 4-chloro-1-(3,5-dimethylphenyl)-3-methyl-1-butanone IUPAC Name: 4-chloro-1-(3,5-dimethylphenyl)-3-methylbutan-1-one Traditional Name: 4-chloro-1-(3,5-dimethylphenyl)-3-methyl-butan-1-one Formula: C13H17ClO MolecularWeight: 224.72648

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17ClO/c1-9-4-10(2)6-12(5-9)13(15)7-11(3)8-14/h4-6,11H,7-8H2,1-3H3