Structure Information
Structure

Compound Identification

SMILES

[Na+].[Na+].[Na+].[Na+].CC1=C(NC2=NC(Cl)=NC(NC3=CC(=CC=C3)S(O)(=O)=O)=N2)C=C(C=C1N1N=C(C(N=NC2=C(C=C(NC3=NC(Cl)=NC(NC4=CC(=CC=C4)S([O-])(=O)=O)=N3)C=C2)S([O-])(=O)=O)C1=O)C([O-])=O)S([O-])(=O)=O

InChIKey

InChIKey=LPEINYYLAYPWSP-UHFFFAOYSA-J

Formula

C35H22Cl2N14Na4O15S4

Mass

1169.74

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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 - Arylsulfonic acid or derivatives - Benzenesulfonyl group - 2,4-diamine-s-triazine - Aniline or substituted anilines - Toluene - Chloro-s-triazine - Halo-s-triazine - Amino-1,3,5-triazine - Aminotriazine - Triazine - Pyrazolinone - 1,3,5-triazine - Aryl halide - Aryl chloride - Sulfonyl - Pyrazoline - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Heteroaromatic compound - Azo compound - Amino acid or derivatives - Carboxylic acid salt - Amino acid - Organic metal halide - Azacycle - Organic alkali metal salt - Carboxylic acid derivative - Organoheterocyclic compound - Carboxylic acid - Monocarboxylic acid or derivatives - Organic 1,3-dipolar compound - Secondary amine - Propargyl-type 1,3-dipolar organic compound - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Carbonyl group - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic salt - Amine - Organic oxygen compound - Organic sodium salt - Organic cation - 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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