Compound Identification
SMILES
CC1=CC(NCCCS(O)(=O)=O)=C(C)C=C1
InChIKey
InChIKey=TUQQDZAQCJBOHD-UHFFFAOYSA-N
Formula
C11H17NO3S
Mass
243.32
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Xylenes
Intermediate Tree Nodes
Not available
Direct Parent
p-Xylenes
Alternative Parents
Phenylalkylamines Aniline and substituted anilines Secondary alkylarylamines Sulfonyls Organosulfonic acids Alkanesulfonic acids Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Aniline or substituted anilines - Phenylalkylamine - P-xylene - Secondary aliphatic/aromatic amine - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Alkanesulfonic acid - Secondary amine - Organonitrogen compound - Amine - Organosulfur compound - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as p-xylenes. These are aromatic compounds that contain a p-xylene moiety, which is a monocyclic benzene carrying exactly two methyl groups at the 1- and 4-positions.
External Descriptors
Not available