Compound Identification
SMILES
CC(C)C1=CC=CC=C1S(O)(=O)=O.CCCCCCCCCCCCCCCCCCNCCCCCCCCCCCCCCCCCC
InChIKey
InChIKey=UVAAGZLDOCXBCG-UHFFFAOYSA-N
Formula
C45H87NO3S
Mass
722.26
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
Phenylpropanes Cumenes Benzenesulfonyl compounds 1-sulfo,2-unsubstituted aromatic compounds Sulfonyls Organosulfonic acids Dialkylamines Organic oxides Hydrocarbon derivatives
Molecular Framework
Not available
Substituents
Benzenesulfonate - Arylsulfonic acid or derivatives - Cumene - Benzenesulfonyl group - Phenylpropane - 1-sulfo,2-unsubstituted aromatic compound - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Secondary aliphatic amine - Secondary amine - Amine - Hydrocarbon derivative - Organosulfur 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 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