Compound Identification
SMILES
[NH4+].COC1=C(NC(=O)CC(C)=O)C=C(C)C(=C1)S([O-])(=O)=O
InChIKey
InChIKey=ZPDRZMNAFLBUOA-UHFFFAOYSA-N
Formula
C12H18N2O6S
Mass
318.34
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 Anilides Benzenesulfonyl compounds Methoxyanilines Anisoles Phenoxy compounds Methoxybenzenes N-arylamides Alkyl aryl ethers Toluenes Fatty amides 1,3-dicarbonyl compounds Sulfonyls Organosulfonic acids Ketones Secondary carboxylic acid amides Hydrocarbon derivatives Organic oxides Organic salts Organopnictogen compounds
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 - Toluene - Fatty amide - Fatty acyl - 1,3-dicarbonyl compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Secondary carboxylic acid amide - Ketone - Carboxamide group - Ether - Carboxylic acid derivative - Organic nitrogen compound - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Carbonyl group - Organic oxygen compound - Organopnictogen compound - Organic salt - 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