Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : ND8    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C9H6O2S/c10-9(11)8-5-6-3-1-2-4-7(6)12-8/h1-5H,(H,10,11)
2 InChIKey InChI 1.03 DYSJMQABFPKAQM-UHFFFAOYSA-N
3 SMILES CACTVS 3.385 OC(=O)c1sc2ccccc2c1
4 SMILES OpenEye OEToolkits 2.0.7 c1ccc2c(c1)cc(s2)C(=O)O
5 Canonical SMILES CACTVS 3.385 OC(=O)c1sc2ccccc2c1
6 Canonical SMILES OpenEye OEToolkits 2.0.7 c1ccc2c(c1)cc(s2)C(=O)O