UHZ

(5-methanoyl-2-nitro-phenyl) methanesulfonate

Created: 2021-02-23
Last modified:  2024-09-27

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Chemical Details

Formal Charge0
Atom Count23
Chiral Atom Count0
Bond Count23
Aromatic Bond Count6
2D diagram of UHZ

Chemical Component Summary

Name(5-methanoyl-2-nitro-phenyl) methanesulfonate
Systematic Name (OpenEye OEToolkits)(5-methanoyl-2-nitro-phenyl) methanesulfonate
FormulaC8 H7 N O6 S
Molecular Weight245.209
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESCACTVS3.385C[S](=O)(=O)Oc1cc(C=O)ccc1[N+]([O-])=O
SMILESOpenEye OEToolkits2.0.7CS(=O)(=O)Oc1cc(ccc1[N+](=O)[O-])C=O
Canonical SMILESCACTVS3.385 C[S](=O)(=O)Oc1cc(C=O)ccc1[N+]([O-])=O
Canonical SMILESOpenEye OEToolkits2.0.7 CS(=O)(=O)Oc1cc(ccc1[N+](=O)[O-])C=O
InChIInChI1.03 InChI=1S/C8H7NO6S/c1-16(13,14)15-8-4-6(5-10)2-3-7(8)9(11)12/h2-5H,1H3
InChIKeyInChI1.03 RCBIWLRDSYSENV-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 156596348