cyclohexa-1,3-diene; 3,4-dimethylpent-3-en-2-one

Systemtic Name: cyclohexa-1,3-diene; 3,4-dimethylpent-3-en-2-one Openeye Name: cyclohexa-1,3-diene; 3,4-dimethylpent-3-en-2-one CAS Name: cyclohexa-1,3-diene; 3,4-dimethyl-3-penten-2-one IUPAC Name: cyclohexa-1,3-diene; 3,4-dimethylpent-3-en-2-one Traditional Name: cyclohexa-1,3-diene; 3,4-dimethylpent-3-en-2-one Formula: C13H20O MolecularWeight: 192.2973

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C)C(=O)C)C.C1CC=CC=C1

Isomeric SMILES

CC(=C(C)C(=O)C)C.C1CC=CC=C1

InChI

InChI=1S/C7H12O.C6H8/c1-5(2)6(3)7(4)8;1-2-4-6-5-3-1/h1-4H3;1-4H,5-6H2