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CLI

Summary
Name:3-(2-CARBOXY-ETHYL)-4,6-DICHLORO-1H-INDOLE-2-CARBOXYLIC ACID
Synonyms:MDL-29951
Formula:C12 H9 Cl2 N O4
Formal charge:0
Formula weight:302.11 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.043-(2-carboxyethyl)-4,6-dichloro-1H-indole-2-carboxylic acid
OpenEye OEToolkits1.5.03-(2-carboxyethyl)-4,6-dichloro-1H-indole-2-carboxylic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04Clc1cc2c(c(Cl)c1)c(c(C(=O)O)n2)CCC(=O)O
SMILES_CANONICALCACTVS3.341OC(=O)CCc1c([nH]c2cc(Cl)cc(Cl)c12)C(O)=O
SMILESCACTVS3.341OC(=O)CCc1c([nH]c2cc(Cl)cc(Cl)c12)C(O)=O
SMILES_CANONICALOpenEye OEToolkits1.5.0c1c(cc(c2c1[nH]c(c2CCC(=O)O)C(=O)O)Cl)Cl
SMILESOpenEye OEToolkits1.5.0c1c(cc(c2c1[nH]c(c2CCC(=O)O)C(=O)O)Cl)Cl
InChIInChI1.03InChI=1S/C12H9Cl2NO4/c13-5-3-7(14)10-6(1-2-9(16)17)11(12(18)19)15-8(10)4-5/h3-4,15H,1-2H2,(H,16,17)(H,18,19)
InChIKeyInChI1.03KNBSYZNKEAWABY-UHFFFAOYSA-N

218853

PDB entries from 2024-04-24

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