3-methylbenzaldehyde; 8-oxabicyclo[2.2.2]octa-1,3,5-triene

Systemtic Name: 3-methylbenzaldehyde; 8-oxabicyclo[2.2.2]octa-1,3,5-triene Openeye Name: 3-methylbenzaldehyde; 8-oxabicyclo[2.2.2]octa-1,3,5-triene CAS Name: 3-methylbenzaldehyde; 8-oxabicyclo[2.2.2]octa-1,3,5-triene IUPAC Name: 3-methylbenzaldehyde; 8-oxabicyclo[2.2.2]octa-1,3,5-triene Traditional Name: 3-methylbenzaldehyde; 8-oxabicyclo[2.2.2]octa-1,3,5-triene Formula: C15H14O2 MolecularWeight: 226.27046

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C=O.C1C2=CC=C(O1)C=C2

Isomeric SMILES

CC1=CC=CC(=C1)C=O.C1C2=CC=C(O1)C=C2

InChI

InChI=1S/C8H8O.C7H6O/c1-7-3-2-4-8(5-7)6-9;1-3-7-4-2-6(1)5-8-7/h2-6H,1H3;1-4H,5H2