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5JY

概要
表記:4,4'-[(4-ethylcyclohexylidene)methanediyl]diphenol
組成式:C21 H24 O2
電荷:0
化学式量:308.414 Da
分子種別:NON-POLYMER

化合物名

プログラムバージョン表記
ACDLabs12.014,4'-[(4-ethylcyclohexylidene)methanediyl]diphenol
OpenEye OEToolkits1.9.24-[(4-ethylcyclohexylidene)-(4-hydroxyphenyl)methyl]phenol

化合物記述子(線形表記)

種別プログラムバージョン表記
SMILESACDLabs12.01Oc3ccc(/C(c1ccc(O)cc1)=C2/CCC(CC)CC2)cc3
InChIInChI1.03InChI=1S/C21H24O2/c1-2-15-3-5-16(6-4-15)21(17-7-11-19(22)12-8-17)18-9-13-20(23)14-10-18/h7-15,22-23H,2-6H2,1H3
InChIKeyInChI1.03LEZGCOYFXQAYPT-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CC[CH]1CC[C](CC1)=[C](c2ccc(O)cc2)c3ccc(O)cc3
SMILESCACTVS3.385CC[CH]1CC[C](CC1)=[C](c2ccc(O)cc2)c3ccc(O)cc3
SMILES_CANONICALOpenEye OEToolkits1.9.2CCC1CCC(=C(c2ccc(cc2)O)c3ccc(cc3)O)CC1
SMILESOpenEye OEToolkits1.9.2CCC1CCC(=C(c2ccc(cc2)O)c3ccc(cc3)O)CC1

224931

件を2024-09-11に公開中

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