(6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 3-chloranyladamantane-1-carboxylate

Systemtic Name: (6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 3-chloranyladamantane-1-carboxylate Openeye Name: (6,7-dimethyl-2-oxo-chromen-4-yl)methyl 3-chloroadamantane-1-carboxylate CAS Name: 3-chloro-1-adamantanecarboxylic acid (6,7-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6,7-dimethyl-2-oxochromen-4-yl)methyl 3-chloroadamantane-1-carboxylate Traditional Name: 3-chloroadamantane-1-carboxylic acid (2-keto-6,7-dimethyl-chromen-4-yl)methyl ester Formula: C23H25ClO4 MolecularWeight: 400.8952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)C34CC5CC(C3)CC(C5)(C4)Cl)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)C34CC5CC(C3)CC(C5)(C4)Cl)C

InChI

InChI=1S/C23H25ClO4/c1-13-3-18-17(6-20(25)28-19(18)4-14(13)2)11-27-21(26)22-7-15-5-16(8-22)10-23(24,9-15)12-22/h3-4,6,15-16H,5,7-12H2,1-2H3