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MOB

Summary
Name:2-((3',5'-DIMETHOXY-4'-HYDROXYPHENYL)AZO)BENZOIC ACID
Formula:C15 H14 N2 O5
Formal charge:0
Formula weight:302.282 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.042-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)diazenyl]benzoic acid
OpenEye OEToolkits1.5.02-(4-hydroxy-3,5-dimethoxy-phenyl)diazenylbenzoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(O)c2ccccc2/N=N/c1cc(OC)c(O)c(OC)c1
SMILES_CANONICALCACTVS3.341COc1cc(cc(OC)c1O)N=Nc2ccccc2C(O)=O
SMILESCACTVS3.341COc1cc(cc(OC)c1O)N=Nc2ccccc2C(O)=O
SMILES_CANONICALOpenEye OEToolkits1.5.0COc1cc(cc(c1O)OC)N=Nc2ccccc2C(=O)O
SMILESOpenEye OEToolkits1.5.0COc1cc(cc(c1O)OC)N=Nc2ccccc2C(=O)O
InChIInChI1.03InChI=1S/C15H14N2O5/c1-21-12-7-9(8-13(22-2)14(12)18)16-17-11-6-4-3-5-10(11)15(19)20/h3-8,18H,1-2H3,(H,19,20)/b17-16+
InChIKeyInChI1.03OUUSCQGLQHBVJX-WUKNDPDISA-N

223532

数据于2024-08-07公开中

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