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V13

概要
表記:2,3,5,6-tetrafluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide
組成式:C8 H7 F4 N O5 S2
電荷:0
化学式量:337.268 Da
分子種別:NON-POLYMER

化合物名

プログラムバージョン表記
ACDLabs12.012,3,5,6-tetrafluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide
OpenEye OEToolkits1.7.62,3,5,6-tetrakis(fluoranyl)-4-(2-hydroxyethylsulfonyl)benzenesulfonamide

化合物記述子(線形表記)

種別プログラムバージョン表記
SMILESACDLabs12.01Fc1c(F)c(c(F)c(F)c1S(=O)(=O)N)S(=O)(=O)CCO
InChIInChI1.03InChI=1S/C8H7F4NO5S2/c9-3-5(11)8(20(13,17)18)6(12)4(10)7(3)19(15,16)2-1-14/h14H,1-2H2,(H2,13,17,18)
InChIKeyInChI1.03WZGGLNWNBUCLIP-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.370N[S](=O)(=O)c1c(F)c(F)c(c(F)c1F)[S](=O)(=O)CCO
SMILESCACTVS3.370N[S](=O)(=O)c1c(F)c(F)c(c(F)c1F)[S](=O)(=O)CCO
SMILES_CANONICALOpenEye OEToolkits1.7.6C(CS(=O)(=O)c1c(c(c(c(c1F)F)S(=O)(=O)N)F)F)O
SMILESOpenEye OEToolkits1.7.6C(CS(=O)(=O)c1c(c(c(c(c1F)F)S(=O)(=O)N)F)F)O

223532

件を2024-08-07に公開中

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