bicyclo[2.2.0]hexa-1(4),2,5-triene; 2,4-dimethylpentanal

Systemtic Name: bicyclo[2.2.0]hexa-1(4),2,5-triene; 2,4-dimethylpentanal Openeye Name: bicyclo[2.2.0]hexa-1(4),2,5-triene; 2,4-dimethylpentanal CAS Name: bicyclo[2.2.0]hexa-1(4),2,5-triene; 2,4-dimethylpentanal IUPAC Name: bicyclo[2.2.0]hexa-1(4),2,5-triene; 2,4-dimethylpentanal Traditional Name: bicyclo[2.2.0]hexa-1(4),2,5-triene; 2,4-dimethylvaleraldehyde Formula: C13H18O MolecularWeight: 190.28142

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H14O.C6H4/c1-6(2)4-7(3)5-8;1-2-6-4-3-5(1)6/h5-7H,4H2,1-3H3;1-4H