Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : QB6    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.06 InChI=1S/C6H8N2O3S/c7-5-3-4(12(8,10)11)1-2-6(5)9/h1-3,9H,7H2,(H2,8,10,11)
2 InChIKey InChI 1.06 AVQFHKYAVVQYQO-UHFFFAOYSA-N
3 SMILES CACTVS 3.385 Nc1cc(ccc1O)[S](N)(=O)=O
4 SMILES OpenEye OEToolkits 3.1.0.0 c1cc(c(cc1S(=O)(=O)N)N)O
5 Canonical SMILES CACTVS 3.385 Nc1cc(ccc1O)[S](N)(=O)=O
6 Canonical SMILES OpenEye OEToolkits 3.1.0.0 c1cc(c(cc1S(=O)(=O)N)N)O