2-tert-butyl-3H-1,3-benzothiazole-2-sulfinic acid

Systemtic Name: 2-tert-butyl-3H-1,3-benzothiazole-2-sulfinic acid Openeye Name: 2-tert-butyl-3H-1,3-benzothiazole-2-sulfinic acid CAS Name: 2-tert-butyl-3H-1,3-benzothiazole-2-sulfinic acid IUPAC Name: 2-tert-butyl-3H-1,3-benzothiazole-2-sulfinic acid Traditional Name: 2-tert-butyl-3H-1,3-benzothiazole-2-sulfinic acid Formula: C11H15NO2S2 MolecularWeight: 257.3723

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1(NC2=CC=CC=C2S1)S(=O)O

Isomeric SMILES

CC(C)(C)C1(NC2=CC=CC=C2S1)S(=O)O

InChI

InChI=1S/C11H15NO2S2/c1-10(2,3)11(16(13)14)12-8-6-4-5-7-9(8)15-11/h4-7,12H,1-3H3,(H,13,14)