ethyl 2-oxidanyl-4-(2,3,4,5,6-pentadeuteriophenyl)butanoate

Systemtic Name: ethyl 2-oxidanyl-4-(2,3,4,5,6-pentadeuteriophenyl)butanoate Openeye Name: ethyl 2-hydroxy-4-(2,3,4,5,6-pentadeuteriophenyl)butanoate CAS Name: 2-hydroxy-4-(2,3,4,5,6-pentadeuteriophenyl)butanoic acid ethyl ester IUPAC Name: ethyl 2-hydroxy-4-(2,3,4,5,6-pentadeuteriophenyl)butanoate Traditional Name: 2-hydroxy-4-(2,3,4,5,6-pentadeuteriophenyl)butyric acid ethyl ester Formula: C12H16O3 MolecularWeight: 213.284449

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC1=CC=CC=C1)O

Isomeric SMILES

[2H]C1=C(C(=C(C(=C1[2H])[2H])CCC(C(=O)OCC)O)[2H])[2H]

InChI

InChI=1S/C12H16O3/c1-2-15-12(14)11(13)9-8-10-6-4-3-5-7-10/h3-7,11,13H,2,8-9H2,1H3/i3D,4D,5D,6D,7D