2-[[3-ethoxy-4-(2-methylpropoxy)phenyl]methylidene]-5,5-dimethyl-cyclohexane-1,3-dione

Systemtic Name: 2-[[3-ethoxy-4-(2-methylpropoxy)phenyl]methylidene]-5,5-dimethyl-cyclohexane-1,3-dione Openeye Name: 2-[(3-ethoxy-4-isobutoxy-phenyl)methylene]-5,5-dimethyl-cyclohexane-1,3-dione CAS Name: 2-[[3-ethoxy-4-(2-methylpropoxy)phenyl]methylidene]-5,5-dimethylcyclohexane-1,3-dione IUPAC Name: 2-[[3-ethoxy-4-(2-methylpropoxy)phenyl]methylidene]-5,5-dimethylcyclohexane-1,3-dione Traditional Name: 2-(3-ethoxy-4-isobutoxy-benzylidene)-5,5-dimethyl-cyclohexane-1,3-quinone Formula: C21H28O4 MolecularWeight: 344.44462

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=C2C(=O)CC(CC2=O)(C)C)OCC(C)C

Isomeric SMILES

CCOC1=C(C=CC(=C1)C=C2C(=O)CC(CC2=O)(C)C)OCC(C)C

InChI

InChI=1S/C21H28O4/c1-6-24-20-10-15(7-8-19(20)25-13-14(2)3)9-16-17(22)11-21(4,5)12-18(16)23/h7-10,14H,6,11-13H2,1-5H3