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PDBeChem : Molecule Descriptors
Molecule : SAT
Encodings of molecule in descriptor strings
Record | Name | Program | Version | Name |
1 |
InChI
|
InChI |
1.03 |
InChI=1S/C2H4O5S/c3-2(4)1-8(5,6)7/h1H2,(H,3,4)(H,5,6,7) |
2 |
InChIKey
|
InChI |
1.03 |
AGGIJOLULBJGTQ-UHFFFAOYSA-N |
3 |
SMILES
|
ACDLabs |
10.04 |
O=C(O)CS(=O)(=O)O |
4 |
SMILES
|
CACTVS |
3.341 |
OC(=O)C[S](O)(=O)=O |
5 |
SMILES
|
OpenEye OEToolkits |
1.5.0 |
C(C(=O)O)S(=O)(=O)O |
6 |
Canonical SMILES
|
CACTVS |
3.341 |
OC(=O)C[S](O)(=O)=O |
7 |
Canonical SMILES
|
OpenEye OEToolkits |
1.5.0 |
C(C(=O)O)S(=O)(=O)O |
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