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3E1

Summary
Name:N,N'-(6,6'-dihydroxybiphenyl-3,3'-diyl)diacetamide
Synonyms:acetaminophen dimer
Formula:C16 H16 N2 O4
Formal charge:0
Formula weight:300.309 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N,N'-(6,6'-dihydroxybiphenyl-3,3'-diyl)diacetamide
OpenEye OEToolkits1.7.6N-[3-(5-acetamido-2-oxidanyl-phenyl)-4-oxidanyl-phenyl]ethanamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(Nc1cc(c(O)cc1)c2cc(ccc2O)NC(=O)C)C
InChIInChI1.03InChI=1S/C16H16N2O4/c1-9(19)17-11-3-5-15(21)13(7-11)14-8-12(18-10(2)20)4-6-16(14)22/h3-8,21-22H,1-2H3,(H,17,19)(H,18,20)
InChIKeyInChI1.03PHJCCQZHFLRCAA-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CC(=O)Nc1ccc(O)c(c1)c2cc(NC(C)=O)ccc2O
SMILESCACTVS3.385CC(=O)Nc1ccc(O)c(c1)c2cc(NC(C)=O)ccc2O
SMILES_CANONICALOpenEye OEToolkits1.7.6CC(=O)Nc1ccc(c(c1)c2cc(ccc2O)NC(=O)C)O
SMILESOpenEye OEToolkits1.7.6CC(=O)Nc1ccc(c(c1)c2cc(ccc2O)NC(=O)C)O

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数据于2024-07-17公开中

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