1-(3,5-dimethylphenyl)-3,3-dimethyl-butan-2-one

Systemtic Name: 1-(3,5-dimethylphenyl)-3,3-dimethyl-butan-2-one Openeye Name: 1-(3,5-dimethylphenyl)-3,3-dimethyl-butan-2-one CAS Name: 1-(3,5-dimethylphenyl)-3,3-dimethyl-2-butanone IUPAC Name: 1-(3,5-dimethylphenyl)-3,3-dimethylbutan-2-one Traditional Name: 1-(3,5-dimethylphenyl)-3,3-dimethyl-butan-2-one Formula: C14H20O MolecularWeight: 204.308

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20O/c1-10-6-11(2)8-12(7-10)9-13(15)14(3,4)5/h6-8H,9H2,1-5H3