Compound Identification
SMILES
CC1=CC=C(C=C1)S(O)(=O)=O.CN(C)CC1CN(C(=O)CCC2=CC3=C(OCO3)C=C2)C2=CC=CC=C2C1
InChIKey
InChIKey=QUIGWEPZMQMOAE-UHFFFAOYSA-N
Formula
C29H34N2O6S
Mass
538.66
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
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Subclass
Benzenesulfonic acids and derivatives
- Level 5 p-Methylbenzenesulfonates
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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 Hydroquinolines 1-sulfo,2-unsubstituted aromatic compounds Benzenesulfonyl compounds Benzodioxoles Aralkylamines Tertiary carboxylic acid amides Sulfonyls Organosulfonic acids Trialkylamines Amino acids and derivatives Oxacyclic compounds Acetals Azacyclic compounds Organic oxides Organopnictogen compounds Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Not available
Substituents
P-methylbenzenesulfonate - Tetrahydroquinoline - Tosyl compound - Arylsulfonic acid or derivatives - Benzodioxole - Benzenesulfonyl group - 1-sulfo,2-unsubstituted aromatic compound - Aralkylamine - Toluene - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Tertiary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Tertiary amine - Tertiary aliphatic amine - Oxacycle - Carboxylic acid derivative - Azacycle - Acetal - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Amine - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - 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