Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : LSA    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C7H5NO3S/c9-7-5-3-1-2-4-6(5)12(10,11)8-7/h1-4H,(H,8,9)
2 InChIKey InChI 1.03 CVHZOJJKTDOEJC-UHFFFAOYSA-N
3 SMILES ACDLabs 10.04 O=C2c1ccccc1S(=O)(=O)N2
4 SMILES CACTVS 3.341 O=C1N[S](=O)(=O)c2ccccc12
5 SMILES OpenEye OEToolkits 1.5.0 c1ccc2c(c1)C(=O)NS2(=O)=O
6 Canonical SMILES CACTVS 3.341 O=C1N[S](=O)(=O)c2ccccc12
7 Canonical SMILES OpenEye OEToolkits 1.5.0 c1ccc2c(c1)C(=O)NS2(=O)=O