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PDBeChem : Molecule Descriptors
Molecule : 4IA
Encodings of molecule in descriptor strings
Record | Name | Program | Version | Name |
1 |
InChI
|
InChI |
1.03 |
InChI=1S/C10H12O2/c1-7(2)8-3-5-9(6-4-8)10(11)12/h3-7H,1-2H3,(H,11,12) |
2 |
InChIKey
|
InChI |
1.03 |
CKMXAIVXVKGGFM-UHFFFAOYSA-N |
3 |
SMILES
|
CACTVS |
3.385 |
CC(C)c1ccc(cc1)C(O)=O |
4 |
SMILES
|
OpenEye OEToolkits |
2.0.5 |
CC(C)c1ccc(cc1)C(=O)O |
5 |
Canonical SMILES
|
CACTVS |
3.385 |
CC(C)c1ccc(cc1)C(O)=O |
6 |
Canonical SMILES
|
OpenEye OEToolkits |
2.0.5 |
CC(C)c1ccc(cc1)C(=O)O |
|