basic_info |
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Product_Name: | 3-METHYLBENZOTHIAZOLIUM TOLUENE-4-SULPHONATE |
CAS: | 6112-39-6 |
EnglishSynonyms: | 3-METHYLBENZOTHIAZOLIUM TOLUENE-4-SULPHONATE |
pro_mdlNumber: | MFCD00031759 |
pro_acceptors: | 3 |
pro_donors: | 0 |
pro_smile: | Cc1ccc(cc1)S(=O)(=O)[O-].C[n+]1csc2c1cccc2 |
InChi: | InChI=1S/C8H8NS.C7H8O3S/c1-9-6-10-8-5-3-2-4-7(8)9;1-6-2-4-7(5-3-6)11(8,9)10/h2-6H,1H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1 |
InChiKey: | InChIKey=VSLLSCGWLKZXJL-UHFFFAOYSA-M |
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