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PDBeChem : Molecule Descriptors
Molecule : 258
Encodings of molecule in descriptor strings
Record | Name | Program | Version | Name |
1 |
InChI
|
InChI |
1.03 |
InChI=1S/C8H9ClO/c9-6-7-10-8-4-2-1-3-5-8/h1-5H,6-7H2 |
2 |
InChIKey
|
InChI |
1.03 |
VQUYNUJARXBNPK-UHFFFAOYSA-N |
3 |
SMILES
|
ACDLabs |
10.04 |
2-chloroethyl phenyl ether |
4 |
SMILES
|
CACTVS |
3.341 |
ClCCOc1ccccc1 |
5 |
SMILES
|
OpenEye OEToolkits |
1.5.0 |
c1ccc(cc1)OCCCl |
6 |
Canonical SMILES
|
CACTVS |
3.341 |
ClCCOc1ccccc1 |
7 |
Canonical SMILES
|
OpenEye OEToolkits |
1.5.0 |
c1ccc(cc1)OCCCl |
|