bicyclo[4.1.0]hepta-1,3,5-triene; chromen-2-one

Systemtic Name: bicyclo[4.1.0]hepta-1,3,5-triene; chromen-2-one Openeye Name: bicyclo[4.1.0]hepta-1,3,5-triene; chromen-2-one CAS Name: 1-benzopyran-2-one; bicyclo[4.1.0]hepta-1,3,5-triene IUPAC Name: bicyclo[4.1.0]hepta-1,3,5-triene; chromen-2-one Traditional Name: bicyclo[4.1.0]hepta-1,3,5-triene; coumarin Formula: C16H12O2 MolecularWeight: 236.26528

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C21.C1=CC=C2C(=C1)C=CC(=O)O2

Isomeric SMILES

C1C2=CC=CC=C21.C1=CC=C2C(=C1)C=CC(=O)O2

InChI

InChI=1S/C9H6O2.C7H6/c10-9-6-5-7-3-1-2-4-8(7)11-9;1-2-4-7-5-6(7)3-1/h1-6H;1-4H,5H2