(E)-1-(3-bromanyl-2,6,6-trimethyl-cyclohexen-1-yl)but-2-en-1-one

Systemtic Name: (E)-1-(3-bromanyl-2,6,6-trimethyl-cyclohexen-1-yl)but-2-en-1-one Openeye Name: (E)-1-(3-bromo-2,6,6-trimethyl-cyclohexen-1-yl)but-2-en-1-one CAS Name: (E)-1-(3-bromo-2,6,6-trimethyl-1-cyclohexenyl)-2-buten-1-one IUPAC Name: (E)-1-(3-bromo-2,6,6-trimethylcyclohexen-1-yl)but-2-en-1-one Traditional Name: (E)-1-(3-bromo-2,6,6-trimethyl-cyclohexen-1-yl)but-2-en-1-one Formula: C13H19BrO MolecularWeight: 271.19336

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC(=O)C1=C(C(CCC1(C)C)Br)C

Isomeric SMILES

C/C=C/C(=O)C1=C(C(CCC1(C)C)Br)C

InChI

InChI=1S/C13H19BrO/c1-5-6-11(15)12-9(2)10(14)7-8-13(12,3)4/h5-6,10H,7-8H2,1-4H3/b6-5+