(5S,7R)-3-bromanyl-5,7-dimethyl-adamantane-1-carboxylate

Systemtic Name: (5S,7R)-3-bromanyl-5,7-dimethyl-adamantane-1-carboxylate Openeye Name: (5S,7R)-3-bromo-5,7-dimethyl-adamantane-1-carboxylate CAS Name: (5S,7R)-3-bromo-5,7-dimethyl-1-adamantanecarboxylate IUPAC Name: (5S,7R)-3-bromo-5,7-dimethyladamantane-1-carboxylate Traditional Name: (5S,7R)-3-bromo-5,7-dimethyl-adamantane-1-carboxylate Formula: C13H18BrO2- MolecularWeight: 286.18482

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Descriptors Computed from Structure

Canonical SMILES:

CC12CC3(CC(C1)(CC(C2)(C3)Br)C(=O)[O-])C

Isomeric SMILES

C[C@@]12C[C@]3(CC(C1)(CC(C2)(C3)Br)C(=O)[O-])C

InChI

InChI=1S/C13H19BrO2/c1-10-3-11(2)5-12(4-10,9(15)16)8-13(14,6-10)7-11/h3-8H2,1-2H3,(H,15,16)/p-1/t10-,11+,12?,13?