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JKE

Summary
Name:2-sulfanylbenzoic acid
Formula:C7 H6 O2 S
Formal charge:0
Formula weight:154.186 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.012-sulfanylbenzoic acid
OpenEye OEToolkits1.7.02-sulfanylbenzoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(O)c1ccccc1S
SMILES_CANONICALCACTVS3.370OC(=O)c1ccccc1S
SMILESCACTVS3.370OC(=O)c1ccccc1S
SMILES_CANONICALOpenEye OEToolkits1.7.0c1ccc(c(c1)C(=O)O)S
SMILESOpenEye OEToolkits1.7.0c1ccc(c(c1)C(=O)O)S
InChIInChI1.03InChI=1S/C7H6O2S/c8-7(9)5-3-1-2-4-6(5)10/h1-4,10H,(H,8,9)
InChIKeyInChI1.03NBOMNTLFRHMDEZ-UHFFFAOYSA-N

217705

PDB entries from 2024-03-27

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