Compound Identification
SMILES
COC1=C(NC(=O)CC(C)=O)C=CC(=C1)S(O)(=O)=O
InChIKey
InChIKey=QJCLZROZKBIGAZ-UHFFFAOYSA-N
Formula
C11H13NO6S
Mass
287.29
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzenesulfonic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Benzenesulfonic acids and derivatives
Alternative Parents
1-sulfo,2-unsubstituted aromatic compounds Methoxyanilines Anilides Benzenesulfonyl compounds Phenoxy compounds N-arylamides Methoxybenzenes Anisoles Alkyl aryl ethers 1,3-dicarbonyl compounds Fatty amides Sulfonyls Organosulfonic acids Secondary carboxylic acid amides Ketones Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Benzenesulfonate - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Methoxyaniline - Anilide - 1-sulfo,2-unsubstituted aromatic compound - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - N-arylamide - Alkyl aryl ether - Fatty amide - Fatty acyl - 1,3-dicarbonyl compound - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Sulfonyl - Secondary carboxylic acid amide - Carboxamide group - Ketone - Carboxylic acid derivative - Ether - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Carbonyl group - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzenesulfonic acids and derivatives. These are organic compounds containing a sulfonic acid or a derivative thereof that is linked to a benzene ring.
External Descriptors
Not available