(Z)-4-(1,1-dideuterio-2-ethyl-hexoxy)-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (Z)-4-(1,1-dideuterio-2-ethyl-hexoxy)-4-oxidanylidene-but-2-enoic acid Openeye Name: (Z)-4-(1,1-dideuterio-2-ethyl-hexoxy)-4-oxo-but-2-enoic acid CAS Name: (Z)-4-(1,1-dideuterio-2-ethylhexoxy)-4-oxo-2-butenoic acid IUPAC Name: (Z)-4-(1,1-dideuterio-2-ethylhexoxy)-4-oxobut-2-enoic acid Traditional Name: (Z)-4-(1,1-dideuterio-2-ethyl-hexoxy)-4-keto-but-2-enoic acid Formula: C12H20O4 MolecularWeight: 230.297124

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)COC(=O)C=CC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C12H20O4/c1-3-5-6-10(4-2)9-16-12(15)8-7-11(13)14/h7-8,10H,3-6,9H2,1-2H3,(H,13,14)/b8-7-/i9D2