bicyclo[3.1.0]hexa-1(6),2,4-triene; heptan-3-one

Systemtic Name: bicyclo[3.1.0]hexa-1(6),2,4-triene; heptan-3-one Openeye Name: bicyclo[3.1.0]hexa-1(6),2,4-triene; heptan-3-one CAS Name: bicyclo[3.1.0]hexa-1(6),2,4-triene; 3-heptanone IUPAC Name: bicyclo[3.1.0]hexa-1(6),2,4-triene; heptan-3-one Traditional Name: bicyclo[3.1.0]hexa-1(6),2,4-triene; heptan-3-one Formula: C13H18O MolecularWeight: 190.28142

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)CC.C1=CC2=CC2=C1

Isomeric SMILES

CCCCC(=O)CC.C1=CC2=CC2=C1

InChI

InChI=1S/C7H14O.C6H4/c1-3-5-6-7(8)4-2;1-2-5-4-6(5)3-1/h3-6H2,1-2H3;1-4H