(6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl (5S,7R)-3-chloranyladamantane-1-carboxylate

Systemtic Name: (6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl (5S,7R)-3-chloranyladamantane-1-carboxylate Openeye Name: (6-chloro-7-methyl-2-oxo-chromen-4-yl)methyl (5S,7R)-3-chloroadamantane-1-carboxylate CAS Name: (5S,7R)-3-chloro-1-adamantanecarboxylic acid (6-chloro-7-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6-chloro-7-methyl-2-oxochromen-4-yl)methyl (5S,7R)-3-chloroadamantane-1-carboxylate Traditional Name: (5S,7R)-3-chloroadamantane-1-carboxylic acid (6-chloro-2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C22H22Cl2O4 MolecularWeight: 421.31368

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C34CC5CC(C3)CC(C5)(C4)Cl)Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C34C[C@H]5C[C@@H](C3)CC(C5)(C4)Cl)Cl

InChI

InChI=1S/C22H22Cl2O4/c1-12-2-18-16(5-17(12)23)15(4-19(25)28-18)10-27-20(26)21-6-13-3-14(7-21)9-22(24,8-13)11-21/h2,4-5,13-14H,3,6-11H2,1H3/t13-,14+,21?,22?