6-methyl-6-(3-methylphenyl)heptan-2-one

Systemtic Name: 6-methyl-6-(3-methylphenyl)heptan-2-one Openeye Name: 6-methyl-6-(m-tolyl)heptan-2-one CAS Name: 6-methyl-6-(3-methylphenyl)-2-heptanone IUPAC Name: 6-methyl-6-(3-methylphenyl)heptan-2-one Traditional Name: 6-methyl-6-(m-tolyl)heptan-2-one Formula: C15H22O MolecularWeight: 218.33458

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22O/c1-12-7-5-9-14(11-12)15(3,4)10-6-8-13(2)16/h5,7,9,11H,6,8,10H2,1-4H3