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

Systemtic Name: bicyclo[3.1.0]hexa-1(6),2,4-triene; hexan-2-one Openeye Name: bicyclo[3.1.0]hexa-1(6),2,4-triene; hexan-2-one CAS Name: bicyclo[3.1.0]hexa-1(6),2,4-triene; 2-hexanone IUPAC Name: bicyclo[3.1.0]hexa-1(6),2,4-triene; hexan-2-one Traditional Name: bicyclo[3.1.0]hexa-1(6),2,4-triene; hexan-2-one Formula: C12H16O MolecularWeight: 176.25484

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H12O.C6H4/c1-3-4-5-6(2)7;1-2-5-4-6(5)3-1/h3-5H2,1-2H3;1-4H