Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : DMS    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C2H6OS/c1-4(2)3/h1-2H3
2 InChIKey InChI 1.03 IAZDPXIOMUYVGZ-UHFFFAOYSA-N
3 SMILES ACDLabs 10.04 sulfinyldimethane
4 SMILES CACTVS 3.341 C[S](C)=O
5 SMILES OpenEye OEToolkits 1.5.0 CS(=O)C
6 Canonical SMILES CACTVS 3.341 C[S](C)=O
7 Canonical SMILES OpenEye OEToolkits 1.5.0 CS(=O)C