2-(1-oxidanylbutylidene)-5-propan-2-yl-cyclohexane-1,3-dione

Systemtic Name: 2-(1-oxidanylbutylidene)-5-propan-2-yl-cyclohexane-1,3-dione Openeye Name: 2-(1-hydroxybutylidene)-5-isopropyl-cyclohexane-1,3-dione CAS Name: 2-(1-hydroxybutylidene)-5-propan-2-ylcyclohexane-1,3-dione IUPAC Name: 2-(1-hydroxybutylidene)-5-propan-2-ylcyclohexane-1,3-dione Traditional Name: 2-(1-hydroxybutylidene)-5-isopropyl-cyclohexane-1,3-quinone Formula: C13H20O3 MolecularWeight: 224.2961

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=C1C(=O)CC(CC1=O)C(C)C)O

Isomeric SMILES

CCCC(=C1C(=O)CC(CC1=O)C(C)C)O

InChI

InChI=1S/C13H20O3/c1-4-5-10(14)13-11(15)6-9(8(2)3)7-12(13)16/h8-9,14H,4-7H2,1-3H3