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

Systemtic Name: methyl 3,3,3-trideuterio-2-[4-(4-methylsulfonyloxybut-1-ynyl)phenyl]-2-(trideuteriomethyl)propanoate Openeye Name: methyl 3,3,3-trideuterio-2-[4-(4-methylsulfonyloxybut-1-ynyl)phenyl]-2-(trideuteriomethyl)propanoate CAS Name: 3,3,3-trideuterio-2-[4-(4-methylsulfonyloxybut-1-ynyl)phenyl]-2-(trideuteriomethyl)propanoic acid methyl ester IUPAC Name: methyl 3,3,3-trideuterio-2-[4-(4-methylsulfonyloxybut-1-ynyl)phenyl]-2-(trideuteriomethyl)propanoate Traditional Name: 3,3,3-trideuterio-2-[4-(4-methylsulfonyloxybut-1-ynyl)phenyl]-2-(trideuteriomethyl)propionic acid methyl ester Formula: C16H20O5S MolecularWeight: 330.428971

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20O5S/c1-16(2,15(17)20-3)14-10-8-13(9-11-14)7-5-6-12-21-22(4,18)19/h8-11H,6,12H2,1-4H3/i1D3,2D3