Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : SH8    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C11H8O4/c1-6-2-3-9-7(4-6)5-8(10(12)13)11(14)15-9/h2-5H,1H3,(H,12,13)
2 InChIKey InChI 1.03 FJICLQQBBFWGMZ-UHFFFAOYSA-N
3 SMILES CACTVS 3.385 Cc1ccc2OC(=O)C(=Cc2c1)C(O)=O
4 SMILES OpenEye OEToolkits 2.0.7 Cc1ccc2c(c1)C=C(C(=O)O2)C(=O)O
5 Canonical SMILES CACTVS 3.385 Cc1ccc2OC(=O)C(=Cc2c1)C(O)=O
6 Canonical SMILES OpenEye OEToolkits 2.0.7 Cc1ccc2c(c1)C=C(C(=O)O2)C(=O)O