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HTC

Summary
Name:3-{[(4-CARBOXY-2-HYDROXYANILINE]SULFONYL}THIOPHENE-2-CARBOXYLIC ACID
Formula:C12 H9 N O7 S2
Formal charge:0
Formula weight:343.332 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.043-[(4-carboxy-2-hydroxyphenyl)sulfamoyl]thiophene-2-carboxylic acid
OpenEye OEToolkits1.5.03-[(4-carboxy-2-hydroxy-phenyl)sulfamoyl]thiophene-2-carboxylic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(O)c1sccc1S(=O)(=O)Nc2ccc(C(=O)O)cc2O
SMILES_CANONICALCACTVS3.341OC(=O)c1sccc1[S](=O)(=O)Nc2ccc(cc2O)C(O)=O
SMILESCACTVS3.341OC(=O)c1sccc1[S](=O)(=O)Nc2ccc(cc2O)C(O)=O
SMILES_CANONICALOpenEye OEToolkits1.5.0c1cc(c(cc1C(=O)O)O)NS(=O)(=O)c2ccsc2C(=O)O
SMILESOpenEye OEToolkits1.5.0c1cc(c(cc1C(=O)O)O)NS(=O)(=O)c2ccsc2C(=O)O
InChIInChI1.03InChI=1S/C12H9NO7S2/c14-8-5-6(11(15)16)1-2-7(8)13-22(19,20)9-3-4-21-10(9)12(17)18/h1-5,13-14H,(H,15,16)(H,17,18)
InChIKeyInChI1.03RDPXXOOKKRIKFN-UHFFFAOYSA-N

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數據於2024-07-24公開中

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