(6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 9-oxidanylidenebicyclo[3.3.1]nonane-3-carboxylate

Systemtic Name: (6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 9-oxidanylidenebicyclo[3.3.1]nonane-3-carboxylate Openeye Name: (6,7-dimethyl-2-oxo-chromen-4-yl)methyl 9-oxobicyclo[3.3.1]nonane-3-carboxylate CAS Name: 9-oxo-3-bicyclo[3.3.1]nonanecarboxylic acid (6,7-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6,7-dimethyl-2-oxochromen-4-yl)methyl 9-oxobicyclo[3.3.1]nonane-3-carboxylate Traditional Name: 9-ketobicyclo[3.3.1]nonane-3-carboxylic acid (2-keto-6,7-dimethyl-chromen-4-yl)methyl ester Formula: C22H24O5 MolecularWeight: 368.42296

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)C3CC4CCCC(C3)C4=O)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)C3CC4CCCC(C3)C4=O)C

InChI

InChI=1S/C22H24O5/c1-12-6-18-17(10-20(23)27-19(18)7-13(12)2)11-26-22(25)16-8-14-4-3-5-15(9-16)21(14)24/h6-7,10,14-16H,3-5,8-9,11H2,1-2H3