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

Systemtic Name: 4,4-dimethyl-3-oxidanylidene-pentanal; 3-methoxybicyclo[2.2.2]octa-1,3,5,7-tetraene Openeye Name: 4,4-dimethyl-3-oxo-pentanal; 3-methoxybicyclo[2.2.2]octa-1,3,5,7-tetraene CAS Name: 4,4-dimethyl-3-oxopentanal; 3-methoxybicyclo[2.2.2]octa-1,3,5,7-tetraene IUPAC Name: 4,4-dimethyl-3-oxopentanal; 3-methoxybicyclo[2.2.2]octa-1,3,5,7-tetraene Traditional Name: 3-keto-4,4-dimethyl-valeraldehyde; 3-methoxybicyclo[2.2.2]octa-1,3,5,7-tetraene Formula: C16H20O3 MolecularWeight: 260.3282

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CC=O.COC1=C2C=CC(=C1)C=C2

Isomeric SMILES

CC(C)(C)C(=O)CC=O.COC1=C2C=CC(=C1)C=C2

InChI

InChI=1S/C9H8O.C7H12O2/c1-10-9-6-7-2-4-8(9)5-3-7;1-7(2,3)6(9)4-5-8/h2-6H,1H3;5H,4H2,1-3H3