Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : A1H0L    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.06 InChI=1S/C10H8O2S/c11-10(12)5-7-6-13-9-4-2-1-3-8(7)9/h1-4,6H,5H2,(H,11,12)
2 InChIKey InChI 1.06 VFZQJKXVHYZXMM-UHFFFAOYSA-N
3 SMILES CACTVS 3.385 OC(=O)Cc1csc2ccccc12
4 SMILES OpenEye OEToolkits 2.0.7 c1ccc2c(c1)c(cs2)CC(=O)O
5 Canonical SMILES CACTVS 3.385 OC(=O)Cc1csc2ccccc12
6 Canonical SMILES OpenEye OEToolkits 2.0.7 c1ccc2c(c1)c(cs2)CC(=O)O