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PDBeChem : Molecule Descriptors
Molecule : 3G0
Encodings of molecule in descriptor strings
Record | Name | Program | Version | Name |
1 |
InChI
|
InChI |
1.03 |
InChI=1S/4CN.Pt/c4*1-2;/q;;;;-2 |
2 |
InChIKey
|
InChI |
1.03 |
YGIVBGPIGPIOSX-UHFFFAOYSA-N |
3 |
SMILES
|
ACDLabs |
12.01 |
N#C[Pt-2](C#N)(C#N)C#N |
4 |
SMILES
|
CACTVS |
3.385 |
N#C[Pt--](C#N)(C#N)C#N |
5 |
SMILES
|
OpenEye OEToolkits |
1.7.6 |
C(#N)[Pt-2](C#N)(C#N)C#N |
6 |
Canonical SMILES
|
CACTVS |
3.385 |
N#C[Pt--](C#N)(C#N)C#N |
7 |
Canonical SMILES
|
OpenEye OEToolkits |
1.7.6 |
C(#N)[Pt-2](C#N)(C#N)C#N |
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