4-([5-(2,5-DIMETHYLPHENYL)-4-METHYL-1,1-DIOXIDO-3-OXOISOTHIAZOL-2(3H)-YL]METHYL)BENZOIC ACID

基本信息
产品名称：	4-([5-(2,5-DIMETHYLPHENYL)-4-METHYL-1,1-DIOXIDO-3-OXOISOTHIAZOL-2(3H)-YL]METHYL)BENZOIC ACID
英文同义词：	CHEMDIV-BB BB51-1097 ; 4-([5-(2,5-DIMETHYLPHENYL)-4-METHYL-1,1-DIOXIDO-3-OXOISOTHIAZOL-2(3H)-YL]METHYL)BENZOIC ACID
MDL号：	MFCD15730580
氢键受体数量：	6
氢键供体数量：	1
Smile：	Cc1ccc(c(c1)C2=C(C(=O)N(S2(=O)=O)Cc3ccc(cc3)C(=O)O)C)C
InChi：	InChI=1S/C20H19NO5S/c1-12-4-5-13(2)17(10-12)18-14(3)19(22)21(27(18,25)26)11-15-6-8-16(9-7-15)20(23)24/h4-10H,11H2,1-3H3,(H,23,24)
InChiKey：	InChIKey=FXKUJMHAZSBXCW-UHFFFAOYSA-N

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