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PDBeChem : Molecule Descriptors
Molecule : 1SH
Encodings of molecule in descriptor strings
Record | Name | Program | Version | Name |
1 |
InChI
|
InChI |
1.03 |
InChI=1S/C3H10NO4P/c1-4-2-3-8-9(5,6)7/h4H,2-3H2,1H3,(H2,5,6,7) |
2 |
InChIKey
|
InChI |
1.03 |
HZDCAHRLLXEQFY-UHFFFAOYSA-N |
3 |
SMILES
|
ACDLabs |
12.01 |
O=P(OCCNC)(O)O |
4 |
SMILES
|
CACTVS |
3.370 |
CNCCO[P](O)(O)=O |
5 |
SMILES
|
OpenEye OEToolkits |
1.7.6 |
CNCCOP(=O)(O)O |
6 |
Canonical SMILES
|
CACTVS |
3.370 |
CNCCO[P](O)(O)=O |
7 |
Canonical SMILES
|
OpenEye OEToolkits |
1.7.6 |
CNCCOP(=O)(O)O |
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