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

Systemtic Name: (7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl (5S,7R)-3-chloranyladamantane-1-carboxylate Openeye Name: (7-hydroxy-2-oxo-chromen-4-yl)methyl (5S,7R)-3-chloroadamantane-1-carboxylate CAS Name: (5S,7R)-3-chloro-1-adamantanecarboxylic acid (7-hydroxy-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-hydroxy-2-oxochromen-4-yl)methyl (5S,7R)-3-chloroadamantane-1-carboxylate Traditional Name: (5S,7R)-3-chloroadamantane-1-carboxylic acid (7-hydroxy-2-keto-chromen-4-yl)methyl ester Formula: C21H21ClO5 MolecularWeight: 388.84144

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)Cl)C(=O)OCC4=CC(=O)OC5=C4C=CC(=C5)O

Isomeric SMILES

C1[C@@H]2CC3(C[C@H]1CC(C2)(C3)Cl)C(=O)OCC4=CC(=O)OC5=C4C=CC(=C5)O

InChI

InChI=1S/C21H21ClO5/c22-21-8-12-3-13(9-21)7-20(6-12,11-21)19(25)26-10-14-4-18(24)27-17-5-15(23)1-2-16(14)17/h1-2,4-5,12-13,23H,3,6-11H2/t12-,13+,20?,21?