2-acetyloxy-3,4,5,6-tetradeuterio-benzoic acid

Systemtic Name: 2-acetyloxy-3,4,5,6-tetradeuterio-benzoic acid Openeye Name: 2-acetoxy-3,4,5,6-tetradeuterio-benzoic acid CAS Name: 2-acetyloxy-3,4,5,6-tetradeuteriobenzoic acid IUPAC Name: 2-acetyloxy-3,4,5,6-tetradeuteriobenzoic acid Traditional Name: 2-acetoxy-3,4,5,6-tetradeuterio-benzoic acid Formula: C9H8O4 MolecularWeight: 184.182067

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=CC=C1C(=O)O

Isomeric SMILES

[2H]C1=C(C(=C(C(=C1[2H])C(=O)O)OC(=O)C)[2H])[2H]

InChI

InChI=1S/C9H8O4/c1-6(10)13-8-5-3-2-4-7(8)9(11)12/h2-5H,1H3,(H,11,12)/i2D,3D,4D,5D