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PDBeChem : Molecule Descriptors
Molecule : 0YF
Encodings of molecule in descriptor strings
Record | Name | Program | Version | Name |
1 |
InChI
|
InChI |
1.03 |
InChI=1S/C15H14O2/c16-15(17)11-8-12-6-9-14(10-7-12)13-4-2-1-3-5-13/h1-7,9-10H,8,11H2,(H,16,17) |
2 |
InChIKey
|
InChI |
1.03 |
MVFHRQWYCXYYMU-UHFFFAOYSA-N |
3 |
SMILES
|
ACDLabs |
12.01 |
O=C(O)CCc1ccc(cc1)c2ccccc2 |
4 |
SMILES
|
CACTVS |
3.370 |
OC(=O)CCc1ccc(cc1)c2ccccc2 |
5 |
SMILES
|
OpenEye OEToolkits |
1.7.6 |
c1ccc(cc1)c2ccc(cc2)CCC(=O)O |
6 |
Canonical SMILES
|
CACTVS |
3.370 |
OC(=O)CCc1ccc(cc1)c2ccccc2 |
7 |
Canonical SMILES
|
OpenEye OEToolkits |
1.7.6 |
c1ccc(cc1)c2ccc(cc2)CCC(=O)O |
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