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SNO : Summary
Code ![](/pdbe/static/images/help.png)
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SNO
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One-letter code ![](/pdbe/static/images/help.png)
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X
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Molecule name ![](/pdbe/static/images/help.png)
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(S)-PARA-NITROSTYRENE OXIDE
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Systematic names ![](/pdbe/static/images/help.png)
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Formula ![](/pdbe/static/images/help.png)
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C8 H7 N O3
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Formal charge ![](/pdbe/static/images/help.png)
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0
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Molecular weight ![](/pdbe/static/images/help.png)
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165.146 Da
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SMILES ![](/pdbe/static/images/help.png)
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
10.04 |
[O-][N+](=O)c1ccc(cc1)C2OC2 |
SMILES
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CACTVS |
3.341 |
[O-][N+](=O)c1ccc(cc1)[CH]2CO2 |
SMILES
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OpenEye OEToolkits |
1.5.0 |
c1cc(ccc1C2CO2)[N+](=O)[O-] |
Canonical SMILES
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CACTVS |
3.341 |
[O-][N+](=O)c1ccc(cc1)[C@H]2CO2 |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
c1cc(ccc1[C@H]2CO2)[N+](=O)[O-] |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C8H7NO3/c10-9(11)7-3-1-6(2-4-7)8-5-12-8/h1-4,8H,5H2/t8-/m1/s1 |
IUPAC InChI key ![](/pdbe/static/images/help.png) | YKIUTLHCSNCTDZ-MRVPVSSYSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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19 (12 without Hydrogen)
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Polymer type ![](/pdbe/static/images/help.png)
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Bound ligand
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Type description ![](/pdbe/static/images/help.png)
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NON-POLYMER
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Type code ![](/pdbe/static/images/help.png)
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HETAIN
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Is modified ![](/pdbe/static/images/help.png)
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No
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Standard parent ![](/pdbe/static/images/help.png)
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Not Assigned
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Defined at ![](/pdbe/static/images/help.png)
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2005-05-20
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Last modified at ![](/pdbe/static/images/help.png)
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2021-03-01
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Status ![](/pdbe/static/images/help.png)
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Released
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Obsoleted ![](/pdbe/static/images/help.png)
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Not Assigned
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