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PDBeChem : Molecule Descriptors
Molecule : BZM
Encodings of molecule in descriptor strings
Record | Name | Program | Version | Name |
1 |
InChI
|
InChI |
1.03 |
InChI=1S/C14H12O2/c15-14(13-9-5-2-6-10-13)16-11-12-7-3-1-4-8-12/h1-10H,11H2 |
2 |
InChIKey
|
InChI |
1.03 |
SESFRYSPDFLNCH-UHFFFAOYSA-N |
3 |
SMILES
|
ACDLabs |
10.04 |
O=C(OCc1ccccc1)c2ccccc2 |
4 |
SMILES
|
CACTVS |
3.341 |
O=C(OCc1ccccc1)c2ccccc2 |
5 |
SMILES
|
OpenEye OEToolkits |
1.5.0 |
c1ccc(cc1)COC(=O)c2ccccc2 |
6 |
Canonical SMILES
|
CACTVS |
3.341 |
O=C(OCc1ccccc1)c2ccccc2 |
7 |
Canonical SMILES
|
OpenEye OEToolkits |
1.5.0 |
c1ccc(cc1)COC(=O)c2ccccc2 |
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