2-(4-acetamido-2,3,5,6-tetradeuterio-phenyl)ethanoic acid

Systemtic Name: 2-(4-acetamido-2,3,5,6-tetradeuterio-phenyl)ethanoic acid Openeye Name: 2-(4-acetamido-2,3,5,6-tetradeuterio-phenyl)acetic acid CAS Name: 2-(4-acetamido-2,3,5,6-tetradeuteriophenyl)acetic acid IUPAC Name: 2-(4-acetamido-2,3,5,6-tetradeuteriophenyl)acetic acid Traditional Name: 2-(4-acetamido-2,3,5,6-tetradeuterio-phenyl)acetic acid Formula: C10H11NO3 MolecularWeight: 197.223887

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)CC(=O)O

Isomeric SMILES

[2H]C1=C(C(=C(C(=C1CC(=O)O)[2H])[2H])NC(=O)C)[2H]

InChI

InChI=1S/C10H11NO3/c1-7(12)11-9-4-2-8(3-5-9)6-10(13)14/h2-5H,6H2,1H3,(H,11,12)(H,13,14)/i2D,3D,4D,5D