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PDBeChem : Molecule Descriptors
Molecule : VZ7
Encodings of molecule in descriptor strings
Record | Name | Program | Version | Name |
1 |
InChI
|
InChI |
1.03 |
InChI=1S/C11H13ClO3/c1-11(2,7-15-10(13)14)8-4-3-5-9(12)6-8/h3-6H,7H2,1-2H3,(H,13,14) |
2 |
InChIKey
|
InChI |
1.03 |
GZOXMJOUUULDTN-UHFFFAOYSA-N |
3 |
SMILES
|
ACDLabs |
12.01 |
CC(C)(c1cccc(c1)Cl)COC(=O)O |
4 |
SMILES
|
CACTVS |
3.385 |
CC(C)(COC(O)=O)c1cccc(Cl)c1 |
5 |
SMILES
|
OpenEye OEToolkits |
2.0.7 |
CC(C)(COC(=O)O)c1cccc(c1)Cl |
6 |
Canonical SMILES
|
CACTVS |
3.385 |
CC(C)(COC(O)=O)c1cccc(Cl)c1 |
7 |
Canonical SMILES
|
OpenEye OEToolkits |
2.0.7 |
CC(C)(COC(=O)O)c1cccc(c1)Cl |
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