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7FJ

概要
表記:4,4'-[(1,3-dihydro-2H-inden-2-ylidene)methylene]diphenol
組成式:C22 H18 O2
電荷:0
化学式量:314.377 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'-[(1,3-dihydro-2H-inden-2-ylidene)methylene]diphenol
OpenEye OEToolkits2.0.64-[1,3-dihydroinden-2-ylidene-(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
SMILESACDLabs12.01C1/C(Cc2c1cccc2)=C(/c3ccc(cc3)O)c4ccc(cc4)O
InChIInChI1.03InChI=1S/C22H18O2/c23-20-9-5-15(6-10-20)22(16-7-11-21(24)12-8-16)19-13-17-3-1-2-4-18(17)14-19/h1-12,23-24H,13-14H2
InChIKeyInChI1.03GYIQBNATKDEJGJ-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Oc1ccc(cc1)C(=C2Cc3ccccc3C2)c4ccc(O)cc4
SMILESCACTVS3.385Oc1ccc(cc1)C(=C2Cc3ccccc3C2)c4ccc(O)cc4
SMILES_CANONICALOpenEye OEToolkits2.0.6c1ccc2c(c1)CC(=C(c3ccc(cc3)O)c4ccc(cc4)O)C2
SMILESOpenEye OEToolkits2.0.6c1ccc2c(c1)CC(=C(c3ccc(cc3)O)c4ccc(cc4)O)C2

227111

件を2024-11-06に公開中

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