4-bromanyl-3,5,5-trimethyl-cyclohex-2-en-1-one

Systemtic Name: 4-bromanyl-3,5,5-trimethyl-cyclohex-2-en-1-one Openeye Name: 4-bromo-3,5,5-trimethyl-cyclohex-2-en-1-one CAS Name: 4-bromo-3,5,5-trimethyl-1-cyclohex-2-enone IUPAC Name: 4-bromo-3,5,5-trimethylcyclohex-2-en-1-one Traditional Name: 4-bromo-3,5,5-trimethyl-cyclohex-2-en-1-one Formula: C9H13BrO MolecularWeight: 217.10292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)CC(C1Br)(C)C

Isomeric SMILES

CC1=CC(=O)CC(C1Br)(C)C

InChI

InChI=1S/C9H13BrO/c1-6-4-7(11)5-9(2,3)8(6)10/h4,8H,5H2,1-3H3