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PDBeChem : Molecule Descriptors
Molecule : QMP
Encodings of molecule in descriptor strings
Record | Name | Program | Version | Name |
1 |
InChI
|
InChI |
1.03 |
InChI=1S/C7H15O3P/c1-11(8,9)10-7-5-3-2-4-6-7/h7H,2-6H2,1H3,(H,8,9) |
2 |
InChIKey
|
InChI |
1.03 |
SWYGLBJVTQMYSE-UHFFFAOYSA-N |
3 |
SMILES
|
ACDLabs |
12.01 |
O=P(O)(OC1CCCCC1)C |
4 |
SMILES
|
CACTVS |
3.370 |
C[P](O)(=O)OC1CCCCC1 |
5 |
SMILES
|
OpenEye OEToolkits |
1.7.6 |
CP(=O)(O)OC1CCCCC1 |
6 |
Canonical SMILES
|
CACTVS |
3.370 |
C[P](O)(=O)OC1CCCCC1 |
7 |
Canonical SMILES
|
OpenEye OEToolkits |
1.7.6 |
CP(=O)(O)OC1CCCCC1 |
|