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

Systemtic Name: 2-[(3R,5S)-3,5-bis(bromanyl)-1-adamantyl]ethanoate Openeye Name: 2-[(3R,5S)-3,5-dibromo-1-adamantyl]acetate CAS Name: 2-[(3R,5S)-3,5-dibromo-1-adamantyl]acetate IUPAC Name: 2-[(3R,5S)-3,5-dibromo-1-adamantyl]acetate Traditional Name: 2-[(3R,5S)-3,5-dibromo-1-adamantyl]acetate Formula: C12H15Br2O2- MolecularWeight: 351.0543

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1(CC(C2)(C3)Br)CC(=O)[O-])Br

Isomeric SMILES

C1C2C[C@@]3(C[C@]1(CC(C2)(C3)CC(=O)[O-])Br)Br

InChI

InChI=1S/C12H16Br2O2/c13-11-2-8-1-10(5-11,4-9(15)16)6-12(14,3-8)7-11/h8H,1-7H2,(H,15,16)/p-1/t8?,10?,11-,12+