Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : ETI    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C2H5I/c1-2-3/h2H2,1H3
2 InChIKey InChI 1.03 HVTICUPFWKNHNG-UHFFFAOYSA-N
3 SMILES ACDLabs 11.02 ICC
4 SMILES CACTVS 3.352 CCI
5 SMILES OpenEye OEToolkits 1.7.0 CCI
6 Canonical SMILES CACTVS 3.352 CCI
7 Canonical SMILES OpenEye OEToolkits 1.7.0 CCI