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

Systemtic Name: (8-methyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl (5S,7R)-3-oxidanyladamantane-1-carboxylate Openeye Name: (7-hydroxy-8-methyl-2-oxo-chromen-4-yl)methyl (5S,7R)-3-hydroxyadamantane-1-carboxylate CAS Name: (5S,7R)-3-hydroxy-1-adamantanecarboxylic acid (7-hydroxy-8-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-hydroxy-8-methyl-2-oxochromen-4-yl)methyl (5S,7R)-3-hydroxyadamantane-1-carboxylate Traditional Name: (5S,7R)-3-hydroxyadamantane-1-carboxylic acid (7-hydroxy-2-keto-8-methyl-chromen-4-yl)methyl ester Formula: C22H24O6 MolecularWeight: 384.42236

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC(=O)C=C2COC(=O)C34CC5CC(C3)CC(C5)(C4)O)O

Isomeric SMILES

CC1=C(C=CC2=C1OC(=O)C=C2COC(=O)C34C[C@H]5C[C@@H](C3)CC(C5)(C4)O)O

InChI

InChI=1S/C22H24O6/c1-12-17(23)3-2-16-15(5-18(24)28-19(12)16)10-27-20(25)21-6-13-4-14(7-21)9-22(26,8-13)11-21/h2-3,5,13-14,23,26H,4,6-11H2,1H3/t13-,14+,21?,22?