2-tert-butyl-4-methoxy-4-methyl-cyclohexa-2,5-dien-1-one

Systemtic Name: 2-tert-butyl-4-methoxy-4-methyl-cyclohexa-2,5-dien-1-one Openeye Name: 2-tert-butyl-4-methoxy-4-methyl-cyclohexa-2,5-dien-1-one CAS Name: 2-tert-butyl-4-methoxy-4-methyl-1-cyclohexa-2,5-dienone IUPAC Name: 2-tert-butyl-4-methoxy-4-methylcyclohexa-2,5-dien-1-one Traditional Name: 2-tert-butyl-4-methoxy-4-methyl-cyclohexa-2,5-dien-1-one Formula: C12H18O2 MolecularWeight: 194.27012

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18O2/c1-11(2,3)9-8-12(4,14-5)7-6-10(9)13/h6-8H,1-5H3