methyl (3E,5Z)-2,4,5,6,7,7-hexadeuteriohepta-3,5-dienoate

Systemtic Name: methyl (3E,5Z)-2,4,5,6,7,7-hexadeuteriohepta-3,5-dienoate Openeye Name: methyl (3E,5Z)-2,4,5,6,7,7-hexadeuteriohepta-3,5-dienoate CAS Name: (3E,5Z)-2,4,5,6,7,7-hexadeuteriohepta-3,5-dienoic acid methyl ester IUPAC Name: methyl (3E,5Z)-2,4,5,6,7,7-hexadeuteriohepta-3,5-dienoate Traditional Name: (3E,5Z)-2,4,5,6,7,7-hexadeuteriohepta-3,5-dienoic acid methyl ester Formula: C8H12O2 MolecularWeight: 146.216651

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC=CCC(=O)OC

Isomeric SMILES

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

InChI

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