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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(CCC1=O)(C)C)Br

Isomeric SMILES

CC1=C(C(CCC1=O)(C)C)Br

InChI

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