basic_info |
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Product_Name: | 1-CYCLOHEXENE-1-SULFONIC ACID, 2-HYDROXY-4,4-DIMETHYL-6-OXO- |
CAS: | 98559-12-7 |
EnglishSynonyms: | 2-HYDROXY-4,4-DIMETHYL-6-OXOCYCLOHEX-1-ENE-1-SULFONIC ACID ; 1-CYCLOHEXENE-1-SULFONIC ACID, 2-HYDROXY-4,4-DIMETHYL-6-OXO- ; 2-HYDROXY-4,4-DIMETHYL-6-OXO-1-CYCLOHEXENE-1-SULFONIC ACID |
pro_mdlNumber: | MFCD17013969 |
pro_acceptors: | 5 |
pro_donors: | 2 |
pro_smile: | CC1(CC(=C(C(=O)C1)S(=O)(=O)O)O)C |
InChi: | InChI=1S/C8H12O5S/c1-8(2)3-5(9)7(6(10)4-8)14(11,12)13/h9H,3-4H2,1-2H3,(H,11,12,13) |
InChiKey: | InChIKey=SSGDUAMQWJCQSJ-UHFFFAOYSA-N |
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