(2-oxidanylidenechromen-7-yl) (5S,7R)-3-bromanyladamantane-1-carboxylate

Systemtic Name: (2-oxidanylidenechromen-7-yl) (5S,7R)-3-bromanyladamantane-1-carboxylate Openeye Name: (2-oxochromen-7-yl) (5S,7R)-3-bromoadamantane-1-carboxylate CAS Name: (5S,7R)-3-bromo-1-adamantanecarboxylic acid (2-oxo-1-benzopyran-7-yl) ester IUPAC Name: (2-oxochromen-7-yl) (5S,7R)-3-bromoadamantane-1-carboxylate Traditional Name: (5S,7R)-3-bromoadamantane-1-carboxylic acid (2-ketochromen-7-yl) ester Formula: C20H19BrO4 MolecularWeight: 403.26646

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)Br)C(=O)OC4=CC5=C(C=C4)C=CC(=O)O5

Isomeric SMILES

C1[C@@H]2CC3(C[C@H]1CC(C2)(C3)Br)C(=O)OC4=CC5=C(C=C4)C=CC(=O)O5

InChI

InChI=1S/C20H19BrO4/c21-20-9-12-5-13(10-20)8-19(7-12,11-20)18(23)24-15-3-1-14-2-4-17(22)25-16(14)6-15/h1-4,6,12-13H,5,7-11H2/t12-,13+,19?,20?