Compound Identification
SMILES
[O-]S([O-])(=O)=O.CC1=CC([NH3+])=CC([NH3+])=C1O
InChIKey
InChIKey=XBKYCJUEELIJNY-UHFFFAOYSA-N
Formula
C7H12N2O5S
Mass
236.24
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Phenols
-
Subclass
Cresols
- Level 5 Ortho cresols
-
Subclass
Cresols
-
Class
Phenols
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Phenols
Subclass
Cresols
Intermediate Tree Nodes
Not available
Direct Parent
Ortho cresols
Alternative Parents
p-Aminophenols o-Aminophenols Aniline and substituted anilines Aminotoluenes Organic sulfate salts Organic sulfuric acids and derivatives Organooxygen compounds Organic zwitterions Organic oxides Hydrocarbon derivatives Amines
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Aminophenol - P-aminophenol - O-aminophenol - O-cresol - Aminotoluene - Aniline or substituted anilines - Toluene - Monocyclic benzene moiety - Organic sulfate salt - Organic sulfuric acid or derivatives - Amine - Organic zwitterion - Organic salt - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as ortho cresols. These are organic compounds containing an ortho-cresol moiety, which consists of a benzene bearing one hydroxyl group at ring positions 1 and 2, respectively.
External Descriptors
Not available