Structure Information
Structure

Compound Identification

SMILES

CC1=CC=C(C=C1)S([O-])(=O)=O.CC(C)(C)OC(=O)NC(C)(C)C(=O)OC1=CC=CC2=C1C=CC=C2[NH+]=C(N)N

InChIKey

InChIKey=CMBCDDWRBCEDMZ-UHFFFAOYSA-N

Formula

C27H34N4O7S

Mass

558.65

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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

Not available

Substituents

P-methylbenzenesulfonate - Alpha-amino acid or derivatives - Naphthalene - Phenol ester - Tosyl compound - Arylsulfonic acid or derivatives - Benzenesulfonyl group - 1-sulfo,2-unsubstituted aromatic compound - Toluene - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Carbamic acid ester - Carboxylic acid ester - Guanidine - Carboximidamide - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Organic 1,3-dipolar compound - Monocarboxylic acid or derivatives - Organic zwitterion - Organonitrogen compound - Organic oxide - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - Aromatic homopolycyclic 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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