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H7G

Summary
Name:(3-{[(3-chloro-2-hydroxyphenyl)sulfonyl]amino}phenyl)acetic acid
Formula:C14 H12 Cl N O5 S
Formal charge:0
Formula weight:341.767 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(3-{[(3-chloro-2-hydroxyphenyl)sulfonyl]amino}phenyl)acetic acid
OpenEye OEToolkits2.0.62-[3-[(3-chloranyl-2-oxidanyl-phenyl)sulfonylamino]phenyl]ethanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c1c(c(O)c(cc1)Cl)S(Nc2cc(CC(=O)O)ccc2)(=O)=O
InChIInChI1.03InChI=1S/C14H12ClNO5S/c15-11-5-2-6-12(14(11)19)22(20,21)16-10-4-1-3-9(7-10)8-13(17)18/h1-7,16,19H,8H2,(H,17,18)
InChIKeyInChI1.03KIHNFFHPSDCHNU-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385OC(=O)Cc1cccc(N[S](=O)(=O)c2cccc(Cl)c2O)c1
SMILESCACTVS3.385OC(=O)Cc1cccc(N[S](=O)(=O)c2cccc(Cl)c2O)c1
SMILES_CANONICALOpenEye OEToolkits2.0.6c1cc(cc(c1)NS(=O)(=O)c2cccc(c2O)Cl)CC(=O)O
SMILESOpenEye OEToolkits2.0.6c1cc(cc(c1)NS(=O)(=O)c2cccc(c2O)Cl)CC(=O)O

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數據於2024-07-17公開中

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