2-[(5S,7R)-3-bromanyl-1-adamantyl]ethanoate

Systemtic Name: 2-[(5S,7R)-3-bromanyl-1-adamantyl]ethanoate Openeye Name: 2-[(5S,7R)-3-bromo-1-adamantyl]acetate CAS Name: 2-[(5S,7R)-3-bromo-1-adamantyl]acetate IUPAC Name: 2-[(5S,7R)-3-bromo-1-adamantyl]acetate Traditional Name: 2-[(5S,7R)-3-bromo-1-adamantyl]acetate Formula: C12H16BrO2- MolecularWeight: 272.15824

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)Br)CC(=O)[O-]

Isomeric SMILES

C1[C@@H]2CC3(C[C@H]1CC(C2)(C3)Br)CC(=O)[O-]

InChI

InChI=1S/C12H17BrO2/c13-12-4-8-1-9(5-12)3-11(2-8,7-12)6-10(14)15/h8-9H,1-7H2,(H,14,15)/p-1/t8-,9+,11?,12?