ethyl 4,4,4-trideuterio-3-(trideuteriomethyl)but-2-enoate

Systemtic Name: ethyl 4,4,4-trideuterio-3-(trideuteriomethyl)but-2-enoate Openeye Name: ethyl 4,4,4-trideuterio-3-(trideuteriomethyl)but-2-enoate CAS Name: 4,4,4-trideuterio-3-(trideuteriomethyl)-2-butenoic acid ethyl ester IUPAC Name: ethyl 4,4,4-trideuterio-3-(trideuteriomethyl)but-2-enoate Traditional Name: 4,4,4-trideuterio-3-(trideuteriomethyl)but-2-enoic acid ethyl ester Formula: C7H12O2 MolecularWeight: 134.205951

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=C(C)C

Isomeric SMILES

[2H]C([2H])([2H])C(=CC(=O)OCC)C([2H])([2H])[2H]

InChI

InChI=1S/C7H12O2/c1-4-9-7(8)5-6(2)3/h5H,4H2,1-3H3/i2D3,3D3