Structure Information
Structure

Compound Identification

SMILES

CC1=NN(C(=O)C1N=NC1=C(C=C(C=C1)S(O)(=O)=O)C(O)=O)C1=CC=C(C=C1)C1=CC=C(NC(=O)NC2=CC=C(C=C2)C2=CC=C(C=C2)N2N=C(C)C(N=NC3=C(C=C(C=C3)S(O)(=O)=O)C(O)=O)C2=O)C=C1

InChIKey

InChIKey=XYABAKACYLPOJK-UHFFFAOYSA-N

Formula

C47H36N10O13S2

Mass

1012.98

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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

Sulfobenzoic acids

Direct Parent

3-sulfobenzoic acids

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

3-sulfobenzoic acid - Biphenyl - Alpha-amino acid or derivatives - N-phenylurea - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Benzoic acid or derivatives - Benzoic acid - 1-sulfo,2-unsubstituted aromatic compound - Benzoyl - Pyrazolinone - Pyrazoline - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Azo compound - Urea - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Carboxylic acid derivative - Carboxylic acid - Propargyl-type 1,3-dipolar organic compound - Organic oxide - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Organosulfur compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as 3-sulfobenzoic acids. These are sulfobenzoic acid carrying the sulfonyl group at the 3-position of the benzene group.

External Descriptors

Not available

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