3,3-dimethyl-1-[3-methyl-4,5-bis(oxidanyl)phenyl]butan-1-one

Systemtic Name: 3,3-dimethyl-1-[3-methyl-4,5-bis(oxidanyl)phenyl]butan-1-one Openeye Name: 1-(3,4-dihydroxy-5-methyl-phenyl)-3,3-dimethyl-butan-1-one CAS Name: 1-(3,4-dihydroxy-5-methylphenyl)-3,3-dimethyl-1-butanone IUPAC Name: 1-(3,4-dihydroxy-5-methylphenyl)-3,3-dimethylbutan-1-one Traditional Name: 1-(3,4-dihydroxy-5-methyl-phenyl)-3,3-dimethyl-butan-1-one Formula: C13H18O3 MolecularWeight: 222.28022

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18O3/c1-8-5-9(6-10(14)12(8)16)11(15)7-13(2,3)4/h5-6,14,16H,7H2,1-4H3