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PDBeChem : Molecule Descriptors
Molecule : HGB
Encodings of molecule in descriptor strings
Record | Name | Program | Version | Name |
1 |
InChI
|
InChI |
1.03 |
InChI=1S/C7H5O2.Hg.H2O/c8-7(9)6-4-2-1-3-5-6;;/h2-5H,(H,8,9);;1H2/q;+1;/p-1 |
2 |
InChIKey
|
InChI |
1.03 |
WMHRYLDWLOGHSG-UHFFFAOYSA-M |
3 |
SMILES
|
ACDLabs |
10.04 |
O=C(O)c1ccc([Hg]O)cc1 |
4 |
SMILES
|
CACTVS |
3.341 |
O[Hg]c1ccc(cc1)C(O)=O |
5 |
SMILES
|
OpenEye OEToolkits |
1.5.0 |
c1cc(ccc1C(=O)O)[Hg]O |
6 |
Canonical SMILES
|
CACTVS |
3.341 |
O[Hg]c1ccc(cc1)C(O)=O |
7 |
Canonical SMILES
|
OpenEye OEToolkits |
1.5.0 |
c1cc(ccc1C(=O)O)[Hg]O |
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