bicyclo[2.2.1]hepta-1,3,5-triene; (E)-3,3-dimethylhex-4-en-2-one

Systemtic Name: bicyclo[2.2.1]hepta-1,3,5-triene; (E)-3,3-dimethylhex-4-en-2-one Openeye Name: bicyclo[2.2.1]hepta-1,3,5-triene; (E)-3,3-dimethylhex-4-en-2-one CAS Name: bicyclo[2.2.1]hepta-1,3,5-triene; (E)-3,3-dimethyl-4-hexen-2-one IUPAC Name: bicyclo[2.2.1]hepta-1,3,5-triene; (E)-3,3-dimethylhex-4-en-2-one Traditional Name: bicyclo[2.2.1]hepta-1,3,5-triene; (E)-3,3-dimethylhex-4-en-2-one Formula: C15H20O MolecularWeight: 216.3187

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC(C)(C)C(=O)C.C1C2=CC=C1C=C2

Isomeric SMILES

C/C=C/C(C)(C)C(=O)C.C1C2=CC=C1C=C2

InChI

InChI=1S/C8H14O.C7H6/c1-5-6-8(3,4)7(2)9;1-2-7-4-3-6(1)5-7/h5-6H,1-4H3;1-4H,5H2/b6-5+;