1-bromanyl-3,5-bis(trideuteriomethyl)adamantane

Systemtic Name: 1-bromanyl-3,5-bis(trideuteriomethyl)adamantane Openeye Name: 1-bromo-3,5-bis(trideuteriomethyl)adamantane CAS Name: 1-bromo-3,5-bis(trideuteriomethyl)adamantane IUPAC Name: 1-bromo-3,5-bis(trideuteriomethyl)adamantane Traditional Name: 1-bromo-3,5-bis(trideuteriomethyl)adamantane Formula: C12H19Br MolecularWeight: 249.220231

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Descriptors Computed from Structure

Canonical SMILES:

CC12CC3CC(C1)(CC(C3)(C2)Br)C

Isomeric SMILES

[2H]C([2H])([2H])C12CC3CC(C1)(CC(C3)(C2)Br)C([2H])([2H])[2H]

InChI

InChI=1S/C12H19Br/c1-10-3-9-4-11(2,6-10)8-12(13,5-9)7-10/h9H,3-8H2,1-2H3/i1D3,2D3