Compound Identification
SMILES
CC1=C(CCCCCC(O)=O)[N+]2=C(C=C(C=C2)S(O)(=O)=O)C1(C)C
InChIKey
InChIKey=HKDMYXWXOCPZCX-UHFFFAOYSA-O
Formula
C17H24NO5S
Mass
354.44
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
Class
Organic sulfonic acids and derivatives
-
Subclass
Organosulfonic acids and derivatives
-
Level 5
Arylsulfonic acids and derivatives
- Level 6 Arylsufonic acids
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Level 5
Arylsulfonic acids and derivatives
-
Subclass
Organosulfonic acids and derivatives
-
Class
Organic sulfonic acids and derivatives
-
Superclass
Organic acids and derivatives
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
Organic sulfonic acids and derivatives
Subclass
Organosulfonic acids and derivatives
Intermediate Tree Nodes
Arylsulfonic acids and derivatives - Arylsufonic acids
Direct Parent
1-sulfo,2-unsubstituted aromatic compounds
Alternative Parents
Medium-chain fatty acids Heterocyclic fatty acids Pyridinium derivatives Sulfonyls Organosulfonic acids Heteroaromatic compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1-sulfo,2-unsubstituted aromatic compound - Medium-chain fatty acid - Heterocyclic fatty acid - Pyridine - Pyridinium - Fatty acyl - Organosulfonic acid - Heteroaromatic compound - Sulfonyl - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organic nitrogen compound - Organic cation - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 1-sulfo,2-unsubstituted aromatic compounds. These are an arylsulfonic acid carrying the sulfonic acid group at the 1-position, and no substitute at the 2-position of the aromatic ring.
External Descriptors
Not available