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PDBeChem : Molecule Descriptors
Molecule : VAJ
Encodings of molecule in descriptor strings
Record | Name | Program | Version | Name |
1 |
InChI
|
InChI |
1.03 |
InChI=1S/C14H10O4/c15-13(16)10-6-4-9(5-7-10)11-2-1-3-12(8-11)14(17)18/h1-8H,(H,15,16)(H,17,18) |
2 |
InChIKey
|
InChI |
1.03 |
GSYIVQLTSZFJRV-UHFFFAOYSA-N |
3 |
SMILES
|
ACDLabs |
12.01 |
c2(ccc(c1cc(ccc1)C(=O)O)cc2)C(O)=O |
4 |
SMILES
|
CACTVS |
3.385 |
OC(=O)c1ccc(cc1)c2cccc(c2)C(O)=O |
5 |
SMILES
|
OpenEye OEToolkits |
2.0.7 |
c1cc(cc(c1)C(=O)O)c2ccc(cc2)C(=O)O |
6 |
Canonical SMILES
|
CACTVS |
3.385 |
OC(=O)c1ccc(cc1)c2cccc(c2)C(O)=O |
7 |
Canonical SMILES
|
OpenEye OEToolkits |
2.0.7 |
c1cc(cc(c1)C(=O)O)c2ccc(cc2)C(=O)O |
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