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PDBeChem : Molecule Descriptors
Molecule : 5V4
Encodings of molecule in descriptor strings
Record | Name | Program | Version | Name |
1 |
InChI
|
InChI |
1.03 |
InChI=1S/C9H10O2/c10-8-5-6-3-1-2-4-7(6)9(8)11/h1-4,8-11H,5H2/t8-,9-/m1/s1 |
2 |
InChIKey
|
InChI |
1.03 |
YKXXBEOXRPZVCC-RKDXNWHRSA-N |
3 |
SMILES
|
CACTVS |
3.385 |
O[CH]1Cc2ccccc2[CH]1O |
4 |
SMILES
|
OpenEye OEToolkits |
2.0.4 |
c1ccc2c(c1)CC(C2O)O |
5 |
Canonical SMILES
|
CACTVS |
3.385 |
O[C@@H]1Cc2ccccc2[C@H]1O |
6 |
Canonical SMILES
|
OpenEye OEToolkits |
2.0.4 |
c1ccc2c(c1)C[C@H]([C@@H]2O)O |
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