5,6,7-trideuterio-4-(trideuteriomethyl)-1,3-benzothiazole-2-sulfinic acid

Systemtic Name: 5,6,7-trideuterio-4-(trideuteriomethyl)-1,3-benzothiazole-2-sulfinic acid Openeye Name: 5,6,7-trideuterio-4-(trideuteriomethyl)-1,3-benzothiazole-2-sulfinic acid CAS Name: 5,6,7-trideuterio-4-(trideuteriomethyl)-1,3-benzothiazole-2-sulfinic acid IUPAC Name: 5,6,7-trideuterio-4-(trideuteriomethyl)-1,3-benzothiazole-2-sulfinic acid Traditional Name: 5,6,7-trideuterio-4-(trideuteriomethyl)-1,3-benzothiazole-2-sulfinic acid Formula: C8H7NO2S2 MolecularWeight: 219.313651

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=N2)S(=O)O

Isomeric SMILES

[2H]C1=C(C(=C2C(=C1[2H])SC(=N2)S(=O)O)C([2H])([2H])[2H])[2H]

InChI

InChI=1S/C8H7NO2S2/c1-5-3-2-4-6-7(5)9-8(12-6)13(10)11/h2-4H,1H3,(H,10,11)/i1D3,2D,3D,4D