(5R,7S)-3-(1,1,1,3,3,3-hexadeuterio-2-methoxy-propan-2-yl)adamantane-1-carboxylic acid

Systemtic Name: (5R,7S)-3-(1,1,1,3,3,3-hexadeuterio-2-methoxy-propan-2-yl)adamantane-1-carboxylic acid Openeye Name: (5R,7S)-3-[2,2,2-trideuterio-1-methoxy-1-(trideuteriomethyl)ethyl]adamantane-1-carboxylic acid CAS Name: (5R,7S)-3-(1,1,1,3,3,3-hexadeuterio-2-methoxypropan-2-yl)-1-adamantanecarboxylic acid IUPAC Name: (5R,7S)-3-(1,1,1,3,3,3-hexadeuterio-2-methoxypropan-2-yl)adamantane-1-carboxylic acid Traditional Name: (5R,7S)-3-[2,2,2-trideuterio-1-methoxy-1-(trideuteriomethyl)ethyl]adamantane-1-carboxylic acid Formula: C15H24O3 MolecularWeight: 258.386231

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C12CC3CC(C1)CC(C3)(C2)C(=O)O)OC

Isomeric SMILES

[2H]C([2H])([2H])C(C12C[C@@H]3C[C@H](C1)CC(C3)(C2)C(=O)O)(C([2H])([2H])[2H])OC

InChI

InChI=1S/C15H24O3/c1-13(2,18-3)15-7-10-4-11(8-15)6-14(5-10,9-15)12(16)17/h10-11H,4-9H2,1-3H3,(H,16,17)/t10-,11+,14?,15?/i1D3,2D3