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MTB

Summary
Name:2-((3'-TERTBUTYL-4'-HYDROXYPHENYL)AZO)BENZOIC ACID
Formula:C17 H18 N2 O3
Formal charge:0
Formula weight:298.336 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.042-[(E)-(3-tert-butyl-4-hydroxyphenyl)diazenyl]benzoic acid
OpenEye OEToolkits1.5.02-(3-tert-butyl-4-hydroxy-phenyl)diazenylbenzoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(O)c2ccccc2/N=N/c1ccc(O)c(c1)C(C)(C)C
SMILES_CANONICALCACTVS3.341CC(C)(C)c1cc(ccc1O)N=Nc2ccccc2C(O)=O
SMILESCACTVS3.341CC(C)(C)c1cc(ccc1O)N=Nc2ccccc2C(O)=O
SMILES_CANONICALOpenEye OEToolkits1.5.0CC(C)(C)c1cc(ccc1O)/N=N/c2ccccc2C(=O)O
SMILESOpenEye OEToolkits1.5.0CC(C)(C)c1cc(ccc1O)N=Nc2ccccc2C(=O)O
InChIInChI1.03InChI=1S/C17H18N2O3/c1-17(2,3)13-10-11(8-9-15(13)20)18-19-14-7-5-4-6-12(14)16(21)22/h4-10,20H,1-3H3,(H,21,22)/b19-18+
InChIKeyInChI1.03RLAQYNIYEMUFPA-VHEBQXMUSA-N

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數據於2024-07-10公開中

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