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

Systemtic Name: (7-bromanyl-2-oxidanylidene-chromen-4-yl)methyl adamantane-2-carboxylate Openeye Name: (7-bromo-2-oxo-chromen-4-yl)methyl adamantane-2-carboxylate CAS Name: 2-adamantanecarboxylic acid (7-bromo-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-bromo-2-oxochromen-4-yl)methyl adamantane-2-carboxylate Traditional Name: adamantane-2-carboxylic acid (7-bromo-2-keto-chromen-4-yl)methyl ester Formula: C21H21BrO4 MolecularWeight: 417.29304

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C3C(=O)OCC4=CC(=O)OC5=C4C=CC(=C5)Br

Isomeric SMILES

C1C2CC3CC1CC(C2)C3C(=O)OCC4=CC(=O)OC5=C4C=CC(=C5)Br

InChI

InChI=1S/C21H21BrO4/c22-16-1-2-17-15(8-19(23)26-18(17)9-16)10-25-21(24)20-13-4-11-3-12(6-13)7-14(20)5-11/h1-2,8-9,11-14,20H,3-7,10H2