Structure Information
Structure

Compound Identification

SMILES

COCCN=C(\C=C\C=C\C=C\C=C1\N(CCOCCC(=O)ON2C(=O)CCC2=O)C2=C(C=C(C=C2)S(O)(=O)=O)C1(C)CCOC)C(C)(CCCS(O)(=O)=O)C1=C(C)C=CC(=C1)S(O)(=O)=O

InChIKey

InChIKey=AVRRWKWBKWXLEE-REWNKGEGSA-N

Formula

C44H57N3O16S3

Mass

980.13

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Taxonomic Classification

Taxonomy Tree

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

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

P-methylbenzenesulfonate - Arylsulfonic acid or derivatives - Indole or derivatives - Benzenesulfonyl group - 1-sulfo,2-unsubstituted aromatic compound - Tertiary aliphatic/aromatic amine - Toluene - Pyrrolidone - 2-pyrrolidone - Azomethine - Dicarboximide - Pyrrolidine - Secondary ketimine - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Alkanesulfonic acid - Amino acid or derivatives - Tertiary amine - Lactam - Ketimine - Propargyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Organic 1,3-dipolar compound - Azacycle - Dialkyl ether - Carboxylic acid derivative - Enamine - Monocarboxylic acid or derivatives - Ether - Carbonyl group - Imine - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Amine - 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

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