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PDBeChem : Molecule Descriptors
Molecule : 4SM
Encodings of molecule in descriptor strings
Record | Name | Program | Version | Name |
1 |
InChI
|
InChI |
1.03 |
InChI=1S/Mo.4S/q;;;2*-1 |
2 |
InChIKey
|
InChI |
1.03 |
CXVCSRUYMINUSF-UHFFFAOYSA-N |
3 |
SMILES
|
ACDLabs |
11.02 |
[S-][Mo]([S-])(=S)=S |
4 |
SMILES
|
CACTVS |
3.352 |
[S-][Mo]([S-])(=S)=S |
5 |
SMILES
|
OpenEye OEToolkits |
1.7.0 |
[S-][Mo](=S)(=S)[S-] |
6 |
Canonical SMILES
|
CACTVS |
3.352 |
[S-][Mo]([S-])(=S)=S |
7 |
Canonical SMILES
|
OpenEye OEToolkits |
1.7.0 |
[S-][Mo](=S)(=S)[S-] |
|