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

Systemtic Name: bicyclo[2.2.1]hepta-1,3,5-triene; (E)-4-methylnon-2-en-5-one Openeye Name: bicyclo[2.2.1]hepta-1,3,5-triene; (E)-4-methylnon-2-en-5-one CAS Name: bicyclo[2.2.1]hepta-1,3,5-triene; (E)-4-methyl-2-nonen-5-one IUPAC Name: bicyclo[2.2.1]hepta-1,3,5-triene; (E)-4-methylnon-2-en-5-one Traditional Name: bicyclo[2.2.1]hepta-1,3,5-triene; (E)-4-methylnon-2-en-5-one Formula: C17H24O MolecularWeight: 244.37186

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H18O.C7H6/c1-4-6-8-10(11)9(3)7-5-2;1-2-7-4-3-6(1)5-7/h5,7,9H,4,6,8H2,1-3H3;1-4H,5H2/b7-5+;