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PDBeChem : Molecule Descriptors
Molecule : CUQ
Encodings of molecule in descriptor strings
Record | Name | Program | Version | Name |
1 |
InChI
|
InChI |
1.03 |
InChI=1S/C13H10O3/c14-11-7-6-10(8-12(11)15)13(16)9-4-2-1-3-5-9/h1-8,14-15H |
2 |
InChIKey
|
InChI |
1.03 |
ARWCZKJISXFBGI-UHFFFAOYSA-N |
3 |
SMILES
|
CACTVS |
3.385 |
Oc1ccc(cc1O)C(=O)c2ccccc2 |
4 |
SMILES
|
OpenEye OEToolkits |
2.0.6 |
c1ccc(cc1)C(=O)c2ccc(c(c2)O)O |
5 |
Canonical SMILES
|
CACTVS |
3.385 |
Oc1ccc(cc1O)C(=O)c2ccccc2 |
6 |
Canonical SMILES
|
OpenEye OEToolkits |
2.0.6 |
c1ccc(cc1)C(=O)c2ccc(c(c2)O)O |
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