Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : BSF    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C8H12BNO4S/c11-9(12)7-10-15(13,14)6-8-4-2-1-3-5-8/h1-5,10-12H,6-7H2
2 InChIKey InChI 1.03 TTWWUAQISBIHPB-UHFFFAOYSA-N
3 SMILES ACDLabs 12.01 O=S(=O)(NCB(O)O)Cc1ccccc1
4 SMILES CACTVS 3.370 OB(O)CN[S](=O)(=O)Cc1ccccc1
5 SMILES OpenEye OEToolkits 1.7.0 B(CNS(=O)(=O)Cc1ccccc1)(O)O
6 Canonical SMILES CACTVS 3.370 OB(O)CN[S](=O)(=O)Cc1ccccc1
7 Canonical SMILES OpenEye OEToolkits 1.7.0 B(CNS(=O)(=O)Cc1ccccc1)(O)O