UHZ
(5-methanoyl-2-nitro-phenyl) methanesulfonate
Created: | 2021-02-23 |
Last modified: | 2024-09-27 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 23 |
Chiral Atom Count | 0 |
Bond Count | 23 |
Aromatic Bond Count | 6 |
Chemical Component Summary | |
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Name | (5-methanoyl-2-nitro-phenyl) methanesulfonate |
Systematic Name (OpenEye OEToolkits) | (5-methanoyl-2-nitro-phenyl) methanesulfonate |
Formula | C8 H7 N O6 S |
Molecular Weight | 245.209 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | CACTVS | 3.385 | C[S](=O)(=O)Oc1cc(C=O)ccc1[N+]([O-])=O |
SMILES | OpenEye OEToolkits | 2.0.7 | CS(=O)(=O)Oc1cc(ccc1[N+](=O)[O-])C=O |
Canonical SMILES | CACTVS | 3.385 | C[S](=O)(=O)Oc1cc(C=O)ccc1[N+]([O-])=O |
Canonical SMILES | OpenEye OEToolkits | 2.0.7 | CS(=O)(=O)Oc1cc(ccc1[N+](=O)[O-])C=O |
InChI | InChI | 1.03 | InChI=1S/C8H7NO6S/c1-16(13,14)15-8-4-6(5-10)2-3-7(8)9(11)12/h2-5H,1H3 |
InChIKey | InChI | 1.03 | RCBIWLRDSYSENV-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 156596348 |