CG3
Summary
Name: | HYDROXY(2-HYDROXYPHENYL)OXOAMMONIUM |
Formula: | C6 H6 N O3 |
Formal charge: | 1 |
Formula weight: | 140.117 Da |
Component type: | non-polymer |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 10.04 | hydroxy(2-hydroxyphenyl)oxoammonium |
OpenEye OEToolkits | 1.6.1 | hydroxy-(2-hydroxyphenyl)-oxo-azanium |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=[N+](O)c1ccccc1O |
SMILES_CANONICAL | CACTVS | 3.352 | Oc1ccccc1[N+](O)=O |
SMILES | CACTVS | 3.352 | Oc1ccccc1[N+](O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | c1ccc(c(c1)[N+](=O)O)O |
SMILES | OpenEye OEToolkits | 1.6.1 | c1ccc(c(c1)[N+](=O)O)O |
InChI | InChI | 1.03 | InChI=1S/C6H5NO3/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,(H-,8,9,10)/p+1 |
InChIKey | InChI | 1.03 | CQQWRROYUSGJIU-UHFFFAOYSA-O |