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

Systemtic Name: bicyclo[2.2.1]hepta-1,3,5-triene; (E)-3-ethyl-3-methyl-hex-4-en-2-one Openeye Name: bicyclo[2.2.1]hepta-1,3,5-triene; (E)-3-ethyl-3-methyl-hex-4-en-2-one CAS Name: bicyclo[2.2.1]hepta-1,3,5-triene; (E)-3-ethyl-3-methyl-4-hexen-2-one IUPAC Name: bicyclo[2.2.1]hepta-1,3,5-triene; (E)-3-ethyl-3-methylhex-4-en-2-one Traditional Name: bicyclo[2.2.1]hepta-1,3,5-triene; (E)-3-ethyl-3-methyl-hex-4-en-2-one Formula: C16H22O MolecularWeight: 230.34528

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H16O.C7H6/c1-5-7-9(4,6-2)8(3)10;1-2-7-4-3-6(1)5-7/h5,7H,6H2,1-4H3;1-4H,5H2/b7-5+;