methyl 3,3,3-trideuterio-2-[4-(4-oxidanylbut-1-ynyl)phenyl]-2-(trideuteriomethyl)propanoate

Systemtic Name: methyl 3,3,3-trideuterio-2-[4-(4-oxidanylbut-1-ynyl)phenyl]-2-(trideuteriomethyl)propanoate Openeye Name: methyl 3,3,3-trideuterio-2-[4-(4-hydroxybut-1-ynyl)phenyl]-2-(trideuteriomethyl)propanoate CAS Name: 3,3,3-trideuterio-2-[4-(4-hydroxybut-1-ynyl)phenyl]-2-(trideuteriomethyl)propanoic acid methyl ester IUPAC Name: methyl 3,3,3-trideuterio-2-[4-(4-hydroxybut-1-ynyl)phenyl]-2-(trideuteriomethyl)propanoate Traditional Name: 3,3,3-trideuterio-2-[4-(4-hydroxybut-1-ynyl)phenyl]-2-(trideuteriomethyl)propionic acid methyl ester Formula: C15H18O3 MolecularWeight: 252.338591

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC=C(C=C1)C#CCCO)C(=O)OC

Isomeric SMILES

[2H]C([2H])([2H])C(C1=CC=C(C=C1)C#CCCO)(C(=O)OC)C([2H])([2H])[2H]

InChI

InChI=1S/C15H18O3/c1-15(2,14(17)18-3)13-9-7-12(8-10-13)6-4-5-11-16/h7-10,16H,5,11H2,1-3H3/i1D3,2D3