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PDBeChem : Molecule Descriptors
Molecule : VXX
Encodings of molecule in descriptor strings
Record | Name | Program | Version | Name |
1 |
InChI
|
InChI |
1.03 |
InChI=1S/C9H10O4/c1-12-8-5-6(9(11)13-2)3-4-7(8)10/h3-5,10H,1-2H3 |
2 |
InChIKey
|
InChI |
1.03 |
BVWTXUYLKBHMOX-UHFFFAOYSA-N |
3 |
SMILES
|
ACDLabs |
10.04 |
O=C(OC)c1cc(OC)c(O)cc1 |
4 |
SMILES
|
CACTVS |
3.341 |
COC(=O)c1ccc(O)c(OC)c1 |
5 |
SMILES
|
OpenEye OEToolkits |
1.5.0 |
COc1cc(ccc1O)C(=O)OC |
6 |
Canonical SMILES
|
CACTVS |
3.341 |
COC(=O)c1ccc(O)c(OC)c1 |
7 |
Canonical SMILES
|
OpenEye OEToolkits |
1.5.0 |
COc1cc(ccc1O)C(=O)OC |
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