CSN

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Summary

Name:N,4-DIHYDROXY-N-OXO-3-(SULFOOXY)BENZENAMINIUM
Formula:C6 H5 N O7 S
Formal charge:0
Molecular weight:235.171 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.042-hydroxy-5-nitrophenyl hydrogen sulfate
OpenEye OEToolkits1.5.0(2-hydroxy-5-nitro-phenyl) hydrogen sulfate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=S(=O)(Oc1cc(ccc1O)[N+]([O-])=O)O
SMILES_CANONICALCACTVS3.341Oc1ccc(cc1O[S](O)(=O)=O)[N+]([O-])=O
SMILESCACTVS3.341Oc1ccc(cc1O[S](O)(=O)=O)[N+]([O-])=O
SMILES_CANONICALOpenEye OEToolkits1.5.0c1cc(c(cc1[N+](=O)[O-])OS(=O)(=O)O)O
SMILESOpenEye OEToolkits1.5.0c1cc(c(cc1[N+](=O)[O-])OS(=O)(=O)O)O
InChIInChI1.03InChI=1S/C6H5NO7S/c8-5-2-1-4(7(9)10)3-6(5)14-15(11,12)13/h1-3,8H,(H,11,12,13)
InChIKeyInChI1.03XMCCOOONGGUOLA-UHFFFAOYSA-N