methyl (2E,5E)-4,4,5,6,7,7-hexadeuteriohepta-2,5-dienoate

Systemtic Name: methyl (2E,5E)-4,4,5,6,7,7-hexadeuteriohepta-2,5-dienoate Openeye Name: methyl (2E,5E)-4,4,5,6,7,7-hexadeuteriohepta-2,5-dienoate CAS Name: (2E,5E)-4,4,5,6,7,7-hexadeuteriohepta-2,5-dienoic acid methyl ester IUPAC Name: methyl (2E,5E)-4,4,5,6,7,7-hexadeuteriohepta-2,5-dienoate Traditional Name: (2E,5E)-4,4,5,6,7,7-hexadeuteriohepta-2,5-dienoic acid methyl ester Formula: C8H12O2 MolecularWeight: 146.216651

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Descriptors Computed from Structure

Canonical SMILES:

CC=CCC=CC(=O)OC

Isomeric SMILES

[2H]C([2H])/C(=C(\[2H])/C([2H])([2H])/C=C/C(=O)OC)/[2H]

InChI

InChI=1S/C8H12O2/c1-3-4-5-6-7-8(9)10-2/h3-4,6-7H,5H2,1-2H3/b4-3+,7-6+/i1D2,3D,4D,5D2