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FNJ

Summary
Name:4,4'-[(1R,2R)-1-phenylbutane-1,2-diyl]diphenol
Formula:C22 H22 O2
Formal charge:0
Formula weight:318.409 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.014,4'-[(1R,2R)-1-phenylbutane-1,2-diyl]diphenol
OpenEye OEToolkits2.0.64-[(1~{R},2~{R})-1-(4-hydroxyphenyl)-1-phenyl-butan-2-yl]phenol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c1c(ccc(c1)O)C(CC)C(c2ccc(O)cc2)c3ccccc3
InChIInChI1.03InChI=1S/C22H22O2/c1-2-21(16-8-12-19(23)13-9-16)22(17-6-4-3-5-7-17)18-10-14-20(24)15-11-18/h3-15,21-24H,2H2,1H3/t21-,22+/m0/s1
InChIKeyInChI1.03KTDYSTOLKGILFR-FCHUYYIVSA-N
SMILES_CANONICALCACTVS3.385CC[C@H]([C@H](c1ccccc1)c2ccc(O)cc2)c3ccc(O)cc3
SMILESCACTVS3.385CC[CH]([CH](c1ccccc1)c2ccc(O)cc2)c3ccc(O)cc3
SMILES_CANONICALOpenEye OEToolkits2.0.6CC[C@@H](c1ccc(cc1)O)[C@H](c2ccccc2)c3ccc(cc3)O
SMILESOpenEye OEToolkits2.0.6CCC(c1ccc(cc1)O)C(c2ccccc2)c3ccc(cc3)O

222624

数据于2024-07-17公开中

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