2,3,5,6-tetradeuterio-4-nitro-benzenesulfonic acid

Systemtic Name: 2,3,5,6-tetradeuterio-4-nitro-benzenesulfonic acid Openeye Name: 2,3,5,6-tetradeuterio-4-nitro-benzenesulfonic acid CAS Name: 2,3,5,6-tetradeuterio-4-nitrobenzenesulfonic acid IUPAC Name: 2,3,5,6-tetradeuterio-4-nitrobenzenesulfonic acid Traditional Name: 2,3,5,6-tetradeuterio-4-nitro-besylic acid Formula: C6H5NO5S MolecularWeight: 207.197247

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1[N+](=O)[O-])S(=O)(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C6H5NO5S/c8-7(9)5-1-3-6(4-2-5)13(10,11)12/h1-4H,(H,10,11,12)/i1D,2D,3D,4D