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PDBeChem : Molecule Descriptors
Molecule : HH9
Encodings of molecule in descriptor strings
Record | Name | Program | Version | Name |
1 |
InChI
|
InChI |
1.03 |
InChI=1S/C14H7ClO4/c15-10-6-7(14(17)18)5-9-12(16)8-3-1-2-4-11(8)19-13(9)10/h1-6H,(H,17,18) |
2 |
InChIKey
|
InChI |
1.03 |
XMSOQTUJOFAGGK-UHFFFAOYSA-N |
3 |
SMILES
|
CACTVS |
3.385 |
OC(=O)c1cc(Cl)c2Oc3ccccc3C(=O)c2c1 |
4 |
SMILES
|
OpenEye OEToolkits |
2.0.7 |
c1ccc2c(c1)C(=O)c3cc(cc(c3O2)Cl)C(=O)O |
5 |
Canonical SMILES
|
CACTVS |
3.385 |
OC(=O)c1cc(Cl)c2Oc3ccccc3C(=O)c2c1 |
6 |
Canonical SMILES
|
OpenEye OEToolkits |
2.0.7 |
c1ccc2c(c1)C(=O)c3cc(cc(c3O2)Cl)C(=O)O |
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