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GO0

Summary
Name:3-(carboxymethyl)-4,7-dichloro-1H-indole-2-carboxylic acid
Formula:C11 H7 Cl2 N O4
Formal charge:0
Formula weight:288.084 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.013-(carboxymethyl)-4,7-dichloro-1H-indole-2-carboxylic acid
OpenEye OEToolkits1.7.03-(carboxymethyl)-4,7-dichloro-1H-indole-2-carboxylic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(O)Cc2c1c(c(Cl)ccc1Cl)nc2C(=O)O
SMILES_CANONICALCACTVS3.370OC(=O)Cc1c([nH]c2c(Cl)ccc(Cl)c12)C(O)=O
SMILESCACTVS3.370OC(=O)Cc1c([nH]c2c(Cl)ccc(Cl)c12)C(O)=O
SMILES_CANONICALOpenEye OEToolkits1.7.0c1cc(c2c(c1Cl)c(c([nH]2)C(=O)O)CC(=O)O)Cl
SMILESOpenEye OEToolkits1.7.0c1cc(c2c(c1Cl)c(c([nH]2)C(=O)O)CC(=O)O)Cl
InChIInChI1.03InChI=1S/C11H7Cl2NO4/c12-5-1-2-6(13)10-8(5)4(3-7(15)16)9(14-10)11(17)18/h1-2,14H,3H2,(H,15,16)(H,17,18)
InChIKeyInChI1.03GQXFZEWSJBOLCT-UHFFFAOYSA-N

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數據於2024-08-07公開中

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