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

Systemtic Name: 1-(2,5-dimethylphenyl)-3-methyl-butan-1-one Openeye Name: 1-(2,5-dimethylphenyl)-3-methyl-butan-1-one CAS Name: 1-(2,5-dimethylphenyl)-3-methyl-1-butanone IUPAC Name: 1-(2,5-dimethylphenyl)-3-methylbutan-1-one Traditional Name: 1-(2,5-dimethylphenyl)-3-methyl-butan-1-one Formula: C13H18O MolecularWeight: 190.28142

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18O/c1-9(2)7-13(14)12-8-10(3)5-6-11(12)4/h5-6,8-9H,7H2,1-4H3