2-[(1S,5R)-3-bromanyl-5-(2-oxidanidyl-2-oxidanylidene-ethyl)-1-adamantyl]ethanoate

Systemtic Name: 2-[(1S,5R)-3-bromanyl-5-(2-oxidanidyl-2-oxidanylidene-ethyl)-1-adamantyl]ethanoate Openeye Name: 2-[(1S,5R)-3-bromo-5-(2-oxido-2-oxo-ethyl)-1-adamantyl]acetate CAS Name: 2-[(1S,5R)-3-bromo-5-(2-oxido-2-oxoethyl)-1-adamantyl]acetate IUPAC Name: 2-[(1S,5R)-3-bromo-5-(2-oxido-2-oxoethyl)-1-adamantyl]acetate Traditional Name: 2-[(1S,5R)-3-bromo-5-(2-keto-2-oxido-ethyl)-1-adamantyl]acetate Formula: C14H17BrO4-2 MolecularWeight: 329.18638

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19BrO4/c15-14-3-9-1-12(7-14,4-10(16)17)6-13(2-9,8-14)5-11(18)19/h9H,1-8H2,(H,16,17)(H,18,19)/p-2/t9?,12-,13+,14?