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PDBeChem : Molecule Descriptors
Molecule : 5VK
Encodings of molecule in descriptor strings
Record | Name | Program | Version | Name |
1 |
InChI
|
InChI |
1.03 |
InChI=1S/C17H18O4/c1-2-21-17(20)10-8-12-7-9-14(16(19)11-12)13-5-3-4-6-15(13)18/h3-7,9,11,18-19H,2,8,10H2,1H3 |
2 |
InChIKey
|
InChI |
1.03 |
NLRSDRXKCXNRRG-UHFFFAOYSA-N |
3 |
SMILES
|
CACTVS |
3.385 |
CCOC(=O)CCc1ccc(c(O)c1)c2ccccc2O |
4 |
SMILES
|
OpenEye OEToolkits |
2.0.4 |
CCOC(=O)CCc1ccc(c(c1)O)c2ccccc2O |
5 |
Canonical SMILES
|
CACTVS |
3.385 |
CCOC(=O)CCc1ccc(c(O)c1)c2ccccc2O |
6 |
Canonical SMILES
|
OpenEye OEToolkits |
2.0.4 |
CCOC(=O)CCc1ccc(c(c1)O)c2ccccc2O |
|