Compound Identification
SMILES
CC1=CC=C(C=C1)S(O)(=O)=O.COC1=C(OC)C=C(CCC(=O)N2CC(CN(C)C)CC3=CC=CC=C23)C=C1
InChIKey
InChIKey=JXCDYAXNLVCOOB-UHFFFAOYSA-N
Formula
C30H38N2O6S
Mass
554.7
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
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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
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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 Dimethoxybenzenes Hydroquinolines 1-sulfo,2-unsubstituted aromatic compounds Benzenesulfonyl compounds Anisoles Phenoxy compounds Alkyl aryl ethers Aralkylamines Organosulfonic acids Sulfonyls Tertiary carboxylic acid amides Trialkylamines Amino acids and derivatives Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Not available
Substituents
P-methylbenzenesulfonate - Tosyl compound - Dimethoxybenzene - O-dimethoxybenzene - Tetrahydroquinoline - 1-sulfo,2-unsubstituted aromatic compound - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Anisole - Phenoxy compound - Methoxybenzene - Phenol ether - Aralkylamine - Alkyl aryl ether - Toluene - Organosulfonic acid - Organic sulfonic acid or derivatives - Sulfonyl - Organosulfonic acid or derivatives - Tertiary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Tertiary aliphatic amine - Tertiary amine - Ether - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Amine - Carbonyl group - Organic oxide - Organic nitrogen compound - Organic oxygen 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