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

Systemtic Name: (6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl 9-oxidanylidenebicyclo[3.3.1]nonane-3-carboxylate Openeye Name: (6-chloro-7-methyl-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-chloro-7-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6-chloro-7-methyl-2-oxochromen-4-yl)methyl 9-oxobicyclo[3.3.1]nonane-3-carboxylate Traditional Name: 9-ketobicyclo[3.3.1]nonane-3-carboxylic acid (6-chloro-2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C21H21ClO5 MolecularWeight: 388.84144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C3CC4CCCC(C3)C4=O)Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C3CC4CCCC(C3)C4=O)Cl

InChI

InChI=1S/C21H21ClO5/c1-11-5-18-16(9-17(11)22)15(8-19(23)27-18)10-26-21(25)14-6-12-3-2-4-13(7-14)20(12)24/h5,8-9,12-14H,2-4,6-7,10H2,1H3