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PDBeChem : Molecule Descriptors
Molecule : ZPT
Encodings of molecule in descriptor strings
Record | Name | Program | Version | Name |
1 |
InChI
|
InChI |
1.03 |
InChI=1S/C2H4.3ClH.Pt/c1-2;;;;/h1-2H2;3*1H;/q;;;;+2/p-3 |
2 |
InChIKey
|
InChI |
1.03 |
LJEKXYSRMGLQBW-UHFFFAOYSA-K |
3 |
SMILES
|
CACTVS |
3.385 |
[Cl-]|[Pt++]|1(|[Cl-])(|[Cl-])|C=C|1 |
4 |
SMILES
|
OpenEye OEToolkits |
1.7.6 |
[CH2]1=[CH2][Pt+2]1([Cl-])([Cl-])[Cl-] |
5 |
Canonical SMILES
|
CACTVS |
3.385 |
[Cl-]|[Pt++]|1(|[Cl-])(|[Cl-])|C=C|1 |
6 |
Canonical SMILES
|
OpenEye OEToolkits |
1.7.6 |
[CH2]1=[CH2][Pt+2]1([Cl-])([Cl-])[Cl-] |
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