2,3,4,5,6-pentadeuteriobenzenesulfonic acid

Systemtic Name: 2,3,4,5,6-pentadeuteriobenzenesulfonic acid Openeye Name: 2,3,4,5,6-pentadeuteriobenzenesulfonic acid CAS Name: 2,3,4,5,6-pentadeuteriobenzenesulfonic acid IUPAC Name: 2,3,4,5,6-pentadeuteriobenzenesulfonic acid Traditional Name: 2,3,4,5,6-pentadeuteriobesylic acid Formula: C6H6O3S MolecularWeight: 163.205849

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

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

InChI

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