4,4-dimethyl-3-oxidanylidene-pentanal; 3-ethylbicyclo[2.2.2]octa-1,3,5,7-tetraene

Systemtic Name: 4,4-dimethyl-3-oxidanylidene-pentanal; 3-ethylbicyclo[2.2.2]octa-1,3,5,7-tetraene Openeye Name: 4,4-dimethyl-3-oxo-pentanal; 3-ethylbicyclo[2.2.2]octa-1,3,5,7-tetraene CAS Name: 4,4-dimethyl-3-oxopentanal; 3-ethylbicyclo[2.2.2]octa-1,3,5,7-tetraene IUPAC Name: 4,4-dimethyl-3-oxopentanal; 3-ethylbicyclo[2.2.2]octa-1,3,5,7-tetraene Traditional Name: 3-ethylbicyclo[2.2.2]octa-1,3,5,7-tetraene; 3-keto-4,4-dimethyl-valeraldehyde Formula: C17H22O2 MolecularWeight: 258.35538

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C=CC(=C1)C=C2.CC(C)(C)C(=O)CC=O

Isomeric SMILES

CCC1=C2C=CC(=C1)C=C2.CC(C)(C)C(=O)CC=O

InChI

InChI=1S/C10H10.C7H12O2/c1-2-9-7-8-3-5-10(9)6-4-8;1-7(2,3)6(9)4-5-8/h3-7H,2H2,1H3;5H,4H2,1-3H3