Structure Information
Structure

Compound Identification

SMILES

CC1=CC=C(C=C1)S(O)(=O)=O.CCN1\C(OC2=C1C=CC1=CC=CC=C21)=C/C=NC1=CC=CC=C1

InChIKey

InChIKey=BKRVMZRUTFTRPB-LWZROHHNSA-N

Formula

C28H26N2O4S

Mass

486.59

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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 - Naphthalene - Tosyl compound - Arylsulfonic acid or derivatives - Benzoxazoline - Benzenesulfonyl group - 1-sulfo,2-unsubstituted aromatic compound - Toluene - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Tertiary amine - Shiff base - Ketene acetal or derivatives - Oxacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Azacycle - Aldimine - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organosulfur compound - Imine - Organic oxygen compound - 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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