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

Systemtic Name: sodium 2,3,4,5,6-pentadeuteriobenzenesulfonate Openeye Name: sodium 2,3,4,5,6-pentadeuteriobenzenesulfonate CAS Name: sodium 2,3,4,5,6-pentadeuteriobenzenesulfonate IUPAC Name: sodium 2,3,4,5,6-pentadeuteriobenzenesulfonate Traditional Name: sodium 2,3,4,5,6-pentadeuteriobesylate Formula: C6H5NaO3S MolecularWeight: 185.187679

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H6O3S.Na/c7-10(8,9)6-4-2-1-3-5-6;/h1-5H,(H,7,8,9);/q;+1/p-1/i1D,2D,3D,4D,5D;