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369

概要
表記:5-(4-hydroxyphenoxy)-6-(3-hydroxyphenyl)-7-methylnaphthalen-2-ol
組成式:C23 H18 O4
電荷:0
化学式量:358.387 Da
分子種別:NON-POLYMER

化合物名

プログラムバージョン表記
ACDLabs10.045-(4-hydroxyphenoxy)-6-(3-hydroxyphenyl)-7-methylnaphthalen-2-ol
OpenEye OEToolkits1.5.05-(4-hydroxyphenoxy)-6-(3-hydroxyphenyl)-7-methyl-naphthalen-2-ol

化合物記述子(線形表記)

種別プログラムバージョン表記
SMILESACDLabs10.04O(c2c(c1cccc(O)c1)c(cc3c2ccc(O)c3)C)c4ccc(O)cc4
SMILES_CANONICALCACTVS3.341Cc1cc2cc(O)ccc2c(Oc3ccc(O)cc3)c1c4cccc(O)c4
SMILESCACTVS3.341Cc1cc2cc(O)ccc2c(Oc3ccc(O)cc3)c1c4cccc(O)c4
SMILES_CANONICALOpenEye OEToolkits1.5.0Cc1cc2cc(ccc2c(c1c3cccc(c3)O)Oc4ccc(cc4)O)O
SMILESOpenEye OEToolkits1.5.0Cc1cc2cc(ccc2c(c1c3cccc(c3)O)Oc4ccc(cc4)O)O
InChIInChI1.03InChI=1S/C23H18O4/c1-14-11-16-13-19(26)7-10-21(16)23(27-20-8-5-17(24)6-9-20)22(14)15-3-2-4-18(25)12-15/h2-13,24-26H,1H3
InChIKeyInChI1.03OKUBOIRIRQHVSM-UHFFFAOYSA-N

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件を2024-09-11に公開中

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