Structure Information
Structure

Compound Identification

SMILES

CC1=C(NC2=NC(Cl)=NC(NC3=CC=C(C=C3)S(O)(=O)=O)=N2)C=C(C=C1N1N=C(C(N=NC2=C(C=C(NC3=NC(Cl)=NC(NC4=CC=C(C=C4)S(O)(=O)=O)=N3)C=C2)S(O)(=O)=O)C1=O)C(O)=O)S(O)(=O)=O

InChIKey

InChIKey=LAHATTBSPDETST-UHFFFAOYSA-N

Formula

C35H26Cl2N14O15S4

Mass

1081.82

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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 heteromonocyclic compounds

Substituents

P-methylbenzenesulfonate - Alpha-amino acid or derivatives - 1-sulfo,2-unsubstituted aromatic compound - Diaminotoluene - Benzenesulfonyl group - Arylsulfonic acid or derivatives - 2,4-diamine-s-triazine - Aniline or substituted anilines - Chloro-s-triazine - Halo-s-triazine - Toluene - Amino-1,3,5-triazine - Aminotriazine - Triazine - 1,3,5-triazine - Pyrazolinone - Aryl chloride - Aryl halide - Heteroaromatic compound - Pyrazoline - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Amino acid or derivatives - Amino acid - Azo compound - Secondary amine - Azacycle - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Carboxylic acid - Amine - Organohalogen compound - Carbonyl group - Organochloride - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organic oxygen compound - Organic oxide - Organooxygen compound - Organosulfur compound - Aromatic heteromonocyclic 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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