sodium 2,3,4,5,6-pentadeuteriobenzoate

Systemtic Name: sodium 2,3,4,5,6-pentadeuteriobenzoate Openeye Name: sodium 2,3,4,5,6-pentadeuteriobenzoate CAS Name: sodium 2,3,4,5,6-pentadeuteriobenzoate IUPAC Name: sodium 2,3,4,5,6-pentadeuteriobenzoate Traditional Name: sodium 2,3,4,5,6-pentadeuteriobenzoate Formula: C7H5NaO2 MolecularWeight: 149.133979

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)[O-].[Na+]

Isomeric SMILES

[2H]C1=C(C(=C(C(=C1[2H])[2H])C(=O)[O-])[2H])[2H].[Na+]

InChI

InChI=1S/C7H6O2.Na/c8-7(9)6-4-2-1-3-5-6;/h1-5H,(H,8,9);/q;+1/p-1/i1D,2D,3D,4D,5D;