bicyclo[2.2.1]hepta-1,3,5-triene; 3-methoxy-3-methyl-pent-4-en-2-one

Systemtic Name: bicyclo[2.2.1]hepta-1,3,5-triene; 3-methoxy-3-methyl-pent-4-en-2-one Openeye Name: bicyclo[2.2.1]hepta-1,3,5-triene; 3-methoxy-3-methyl-pent-4-en-2-one CAS Name: bicyclo[2.2.1]hepta-1,3,5-triene; 3-methoxy-3-methyl-4-penten-2-one IUPAC Name: bicyclo[2.2.1]hepta-1,3,5-triene; 3-methoxy-3-methylpent-4-en-2-one Traditional Name: bicyclo[2.2.1]hepta-1,3,5-triene; 3-methoxy-3-methyl-pent-4-en-2-one Formula: C14H18O2 MolecularWeight: 218.29152

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H12O2.C7H6/c1-5-7(3,9-4)6(2)8;1-2-7-4-3-6(1)5-7/h5H,1H2,2-4H3;1-4H,5H2