ethyl 4-[2-(6,6-dimethyl-4-oxidanylidene-5H-inden-2-yl)ethynyl]benzoate

Systemtic Name: ethyl 4-[2-(6,6-dimethyl-4-oxidanylidene-5H-inden-2-yl)ethynyl]benzoate Openeye Name: ethyl 4-[2-(6,6-dimethyl-4-oxo-5H-inden-2-yl)ethynyl]benzoate CAS Name: 4-[2-(6,6-dimethyl-4-oxo-5H-inden-2-yl)ethynyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-(6,6-dimethyl-4-oxo-5H-inden-2-yl)ethynyl]benzoate Traditional Name: 4-[2-(4-keto-6,6-dimethyl-5H-inden-2-yl)ethynyl]benzoic acid ethyl ester Formula: C22H20O3 MolecularWeight: 332.3924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)C#CC2=CC3=CC(CC(=O)C3=C2)(C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)C#CC2=CC3=CC(CC(=O)C3=C2)(C)C

InChI

InChI=1S/C22H20O3/c1-4-25-21(24)17-9-7-15(8-10-17)5-6-16-11-18-13-22(2,3)14-20(23)19(18)12-16/h7-13H,4,14H2,1-3H3