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

Systemtic Name: (8-methyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl (5S,7R)-3-chloranyladamantane-1-carboxylate Openeye Name: (7-hydroxy-8-methyl-2-oxo-chromen-4-yl)methyl (5S,7R)-3-chloroadamantane-1-carboxylate CAS Name: (5S,7R)-3-chloro-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-chloroadamantane-1-carboxylate Traditional Name: (5S,7R)-3-chloroadamantane-1-carboxylic acid (7-hydroxy-2-keto-8-methyl-chromen-4-yl)methyl ester Formula: C22H23ClO5 MolecularWeight: 402.86802

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23ClO5/c1-12-17(24)3-2-16-15(5-18(25)28-19(12)16)10-27-20(26)21-6-13-4-14(7-21)9-22(23,8-13)11-21/h2-3,5,13-14,24H,4,6-11H2,1H3/t13-,14+,21?,22?