(7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl adamantane-1-carboxylate

Systemtic Name: (7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl adamantane-1-carboxylate Openeye Name: (7-hydroxy-2-oxo-chromen-4-yl)methyl adamantane-1-carboxylate CAS Name: 1-adamantanecarboxylic acid (7-hydroxy-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-hydroxy-2-oxochromen-4-yl)methyl adamantane-1-carboxylate Traditional Name: adamantane-1-carboxylic acid (7-hydroxy-2-keto-chromen-4-yl)methyl ester Formula: C21H22O5 MolecularWeight: 354.39638

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)OCC4=CC(=O)OC5=C4C=CC(=C5)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)OCC4=CC(=O)OC5=C4C=CC(=C5)O

InChI

InChI=1S/C21H22O5/c22-16-1-2-17-15(6-19(23)26-18(17)7-16)11-25-20(24)21-8-12-3-13(9-21)5-14(4-12)10-21/h1-2,6-7,12-14,22H,3-5,8-11H2