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5G7

Summary
Name:4,4'-[(2-methylphenyl)carbonimidoyl]diphenol
Formula:C20 H17 N O2
Formal charge:0
Formula weight:303.354 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.014,4'-[(2-methylphenyl)carbonimidoyl]diphenol
OpenEye OEToolkits1.9.24-[C-(4-hydroxyphenyl)-N-(2-methylphenyl)carbonimidoyl]phenol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Oc1ccc(cc1)/C(c2ccc(cc2)O)=N/c3c(C)cccc3
InChIInChI1.03InChI=1S/C20H17NO2/c1-14-4-2-3-5-19(14)21-20(15-6-10-17(22)11-7-15)16-8-12-18(23)13-9-16/h2-13,22-23H,1H3
InChIKeyInChI1.03NPBTTYXOISVXOO-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Cc1ccccc1N=C(c2ccc(O)cc2)c3ccc(O)cc3
SMILESCACTVS3.385Cc1ccccc1N=C(c2ccc(O)cc2)c3ccc(O)cc3
SMILES_CANONICALOpenEye OEToolkits1.9.2Cc1ccccc1N=C(c2ccc(cc2)O)c3ccc(cc3)O
SMILESOpenEye OEToolkits1.9.2Cc1ccccc1N=C(c2ccc(cc2)O)c3ccc(cc3)O

224931

數據於2024-09-11公開中

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