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5KG

Summary
Name:4,4'-{[4-(2-hydroxyethyl)cyclohexylidene]methanediyl}diphenol
Formula:C21 H24 O3
Formal charge:0
Formula weight:324.413 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.014,4'-{[4-(2-hydroxyethyl)cyclohexylidene]methanediyl}diphenol
OpenEye OEToolkits1.9.24-[[4-(2-hydroxyethyl)cyclohexylidene]-(4-hydroxyphenyl)methyl]phenol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c1c(ccc(c1)O)/C(c2ccc(cc2)O)=C3\CCC(CC3)CCO
InChIInChI1.03InChI=1S/C21H24O3/c22-14-13-15-1-3-16(4-2-15)21(17-5-9-19(23)10-6-17)18-7-11-20(24)12-8-18/h5-12,15,22-24H,1-4,13-14H2
InChIKeyInChI1.03YQPOGTYYEGSNFP-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385OCC[CH]1CC[C](CC1)=[C](c2ccc(O)cc2)c3ccc(O)cc3
SMILESCACTVS3.385OCC[CH]1CC[C](CC1)=[C](c2ccc(O)cc2)c3ccc(O)cc3
SMILES_CANONICALOpenEye OEToolkits1.9.2c1cc(ccc1C(=C2CCC(CC2)CCO)c3ccc(cc3)O)O
SMILESOpenEye OEToolkits1.9.2c1cc(ccc1C(=C2CCC(CC2)CCO)c3ccc(cc3)O)O

224931

数据于2024-09-11公开中

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