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

Systemtic Name: (4-methyl-2-oxidanylidene-chromen-7-yl) (5S,7R)-3-bromanyladamantane-1-carboxylate Openeye Name: (4-methyl-2-oxo-chromen-7-yl) (5S,7R)-3-bromoadamantane-1-carboxylate CAS Name: (5S,7R)-3-bromo-1-adamantanecarboxylic acid (4-methyl-2-oxo-1-benzopyran-7-yl) ester IUPAC Name: (4-methyl-2-oxochromen-7-yl) (5S,7R)-3-bromoadamantane-1-carboxylate Traditional Name: (5S,7R)-3-bromoadamantane-1-carboxylic acid (2-keto-4-methyl-chromen-7-yl) ester Formula: C21H21BrO4 MolecularWeight: 417.29304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2)OC(=O)C34CC5CC(C3)CC(C5)(C4)Br

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)OC(=O)C34C[C@H]5C[C@@H](C3)CC(C5)(C4)Br

InChI

InChI=1S/C21H21BrO4/c1-12-4-18(23)26-17-6-15(2-3-16(12)17)25-19(24)20-7-13-5-14(8-20)10-21(22,9-13)11-20/h2-4,6,13-14H,5,7-11H2,1H3/t13-,14+,20?,21?