bicyclo[2.2.1]hepta-1,3,5-triene; pentanal

Systemtic Name: bicyclo[2.2.1]hepta-1,3,5-triene; pentanal Openeye Name: bicyclo[2.2.1]hepta-1,3,5-triene; pentanal CAS Name: bicyclo[2.2.1]hepta-1,3,5-triene; pentanal IUPAC Name: bicyclo[2.2.1]hepta-1,3,5-triene; pentanal Traditional Name: bicyclo[2.2.1]hepta-1,3,5-triene; valeraldehyde Formula: C12H16O MolecularWeight: 176.25484

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC=O.C1C2=CC=C1C=C2

Isomeric SMILES

CCCCC=O.C1C2=CC=C1C=C2

InChI

InChI=1S/C7H6.C5H10O/c1-2-7-4-3-6(1)5-7;1-2-3-4-5-6/h1-4H,5H2;5H,2-4H2,1H3