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5K4

Summary
Name:4,4'-{[(3S)-3-ethylcyclohexylidene]methanediyl}diphenol
Formula:C21 H24 O2
Formal charge:0
Formula weight:308.414 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.014,4'-{[(3S)-3-ethylcyclohexylidene]methanediyl}diphenol
OpenEye OEToolkits1.9.24-[[(3S)-3-ethylcyclohexylidene]-(4-hydroxyphenyl)methyl]phenol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Oc3ccc(/C(c1ccc(O)cc1)=C2/CCCC(CC)C2)cc3
InChIInChI1.03InChI=1S/C21H24O2/c1-2-15-4-3-5-18(14-15)21(16-6-10-19(22)11-7-16)17-8-12-20(23)13-9-17/h6-13,15,22-23H,2-5,14H2,1H3/t15-/m0/s1
InChIKeyInChI1.03ZDUITSJEBSTYBM-HNNXBMFYSA-N
SMILES_CANONICALCACTVS3.385CC[C@H]1CCCC(C1)=C(c2ccc(O)cc2)c3ccc(O)cc3
SMILESCACTVS3.385CC[CH]1CCCC(C1)=C(c2ccc(O)cc2)c3ccc(O)cc3
SMILES_CANONICALOpenEye OEToolkits1.9.2CC[C@H]1CCCC(=C(c2ccc(cc2)O)c3ccc(cc3)O)C1
SMILESOpenEye OEToolkits1.9.2CCC1CCCC(=C(c2ccc(cc2)O)c3ccc(cc3)O)C1

224931

건을2024-09-11부터공개중

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