Compound Identification
SMILES
CC1=CC=C(C=C1)S([O-])(=O)=O.CCCCCCCCCCCCCCCCCC1OCC(COCCCCCC[N+]2=CC=CC3=CC=CC=C23)O1
InChIKey
InChIKey=UASSBLBUXQAQHC-UHFFFAOYSA-M
Formula
C43H67NO6S
Mass
726.07
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Benzenesulfonic acids and derivatives
- Level 5 p-Methylbenzenesulfonates
-
Subclass
Benzenesulfonic acids and derivatives
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzenesulfonic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
p-Methylbenzenesulfonates
Alternative Parents
Tosyl compounds Quinolines and derivatives 1-sulfo,2-unsubstituted aromatic compounds Benzenesulfonyl compounds Pyridinium derivatives Sulfonyls 1,3-dioxolanes Organosulfonic acids Heteroaromatic compounds Oxacyclic compounds Acetals Azacyclic compounds Dialkyl ethers Organonitrogen compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Not available
Substituents
P-methylbenzenesulfonate - Quinoline - Tosyl compound - Arylsulfonic acid or derivatives - Benzenesulfonyl group - 1-sulfo,2-unsubstituted aromatic compound - Toluene - Pyridine - Pyridinium - Meta-dioxolane - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Acetal - Dialkyl ether - Ether - Oxacycle - Azacycle - Organoheterocyclic compound - Organopnictogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Organic cation - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as p-methylbenzenesulfonates. These are benzenesulfonic acids (or derivative thereof) carrying a methyl group at the para- position.
External Descriptors
Not available