(3S,5R)-4,4-bis(bromanyl)adamantane-1-carboxylate

Systemtic Name: (3S,5R)-4,4-bis(bromanyl)adamantane-1-carboxylate Openeye Name: (3S,5R)-4,4-dibromoadamantane-1-carboxylate CAS Name: (3S,5R)-4,4-dibromo-1-adamantanecarboxylate IUPAC Name: (3S,5R)-4,4-dibromoadamantane-1-carboxylate Traditional Name: (3S,5R)-4,4-dibromoadamantane-1-carboxylate Formula: C11H13Br2O2- MolecularWeight: 337.02772

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC(C2)(CC1C3(Br)Br)C(=O)[O-]

Isomeric SMILES

C1[C@@H]2CC3(C[C@@H](C2(Br)Br)CC1C3)C(=O)[O-]

InChI

InChI=1S/C11H14Br2O2/c12-11(13)7-1-6-2-8(11)5-10(3-6,4-7)9(14)15/h6-8H,1-5H2,(H,14,15)/p-1/t6?,7-,8+,10?