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PDBeChem : Molecule Descriptors
Molecule : ZZ1
Encodings of molecule in descriptor strings
Record | Name | Program | Version | Name |
1 |
InChI
|
InChI |
1.03 |
InChI=1S/C10H8O2/c1-7-6-10(11)12-9-5-3-2-4-8(7)9/h2-6H,1H3 |
2 |
InChIKey
|
InChI |
1.03 |
PSGQCCSGKGJLRL-UHFFFAOYSA-N |
3 |
SMILES
|
ACDLabs |
10.04 |
O=C2Oc1ccccc1C(=C2)C |
4 |
SMILES
|
CACTVS |
3.341 |
CC1=CC(=O)Oc2ccccc12 |
5 |
SMILES
|
OpenEye OEToolkits |
1.5.0 |
CC1=CC(=O)Oc2c1cccc2 |
6 |
Canonical SMILES
|
CACTVS |
3.341 |
CC1=CC(=O)Oc2ccccc12 |
7 |
Canonical SMILES
|
OpenEye OEToolkits |
1.5.0 |
CC1=CC(=O)Oc2c1cccc2 |
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