(E)-1-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)but-2-en-1-one

Systemtic Name: (E)-1-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)but-2-en-1-one Openeye Name: (E)-1-(3,3-dimethylnorbornan-2-yl)but-2-en-1-one CAS Name: (E)-1-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)-2-buten-1-one IUPAC Name: (E)-1-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)but-2-en-1-one Traditional Name: (E)-1-(3,3-dimethylnorbornan-2-yl)but-2-en-1-one Formula: C13H20O MolecularWeight: 192.2973

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC(=O)C1C2CCC(C2)C1(C)C

Isomeric SMILES

C/C=C/C(=O)C1C2CCC(C2)C1(C)C

InChI

InChI=1S/C13H20O/c1-4-5-11(14)12-9-6-7-10(8-9)13(12,2)3/h4-5,9-10,12H,6-8H2,1-3H3/b5-4+