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DJC

概要
表記:3-[4-[5-fluoranyl-2-(trifluoromethyl)phenyl]phenyl]propanal
組成式:C16 H12 F4 O
電荷:0
化学式量:296.259 Da
分子種別:NON-POLYMER

化合物名

プログラムバージョン表記
OpenEye OEToolkits2.0.73-[4-[5-fluoranyl-2-(trifluoromethyl)phenyl]phenyl]propanal

化合物記述子(線形表記)

種別プログラムバージョン表記
InChIInChI1.03InChI=1S/C16H12F4O/c17-13-7-8-15(16(18,19)20)14(10-13)12-5-3-11(4-6-12)2-1-9-21/h3-10H,1-2H2
InChIKeyInChI1.03XUJWNTWFPWMSEV-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Fc1ccc(c(c1)c2ccc(CCC=O)cc2)C(F)(F)F
SMILESCACTVS3.385Fc1ccc(c(c1)c2ccc(CCC=O)cc2)C(F)(F)F
SMILES_CANONICALOpenEye OEToolkits2.0.7c1cc(ccc1CCC=O)c2cc(ccc2C(F)(F)F)F
SMILESOpenEye OEToolkits2.0.7c1cc(ccc1CCC=O)c2cc(ccc2C(F)(F)F)F

217705

件を2024-03-27に公開中

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