butanal; 3-propan-2-ylbicyclo[2.2.0]hexa-1(4),2,5-triene

Systemtic Name: butanal; 3-propan-2-ylbicyclo[2.2.0]hexa-1(4),2,5-triene Openeye Name: butanal; 3-isopropylbicyclo[2.2.0]hexa-1(4),2,5-triene CAS Name: butanal; 3-propan-2-ylbicyclo[2.2.0]hexa-1(4),2,5-triene IUPAC Name: butanal; 3-propan-2-ylbicyclo[2.2.0]hexa-1(4),2,5-triene Traditional Name: butyraldehyde; 3-isopropylbicyclo[2.2.0]hexa-1(4),2,5-triene Formula: C13H18O MolecularWeight: 190.28142

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Descriptors Computed from Structure

Canonical SMILES:

CCCC=O.CC(C)C1=CC2=C1C=C2

Isomeric SMILES

CCCC=O.CC(C)C1=CC2=C1C=C2

InChI

InChI=1S/C9H10.C4H8O/c1-6(2)9-5-7-3-4-8(7)9;1-2-3-4-5/h3-6H,1-2H3;4H,2-3H2,1H3