Compound Identification
SMILES
OC(=O)C1=C(C=CC(=C1)S(O)(=O)=O)N=NC(=NN=C1C=C(C=C(C1=O)S(O)(=O)=O)S(O)(=O)=O)C1=CC(NNC2=CC=CC(NC3=C(Cl)C(Cl)=NC(Cl)=N3)=C2)=CC=C1
InChIKey
InChIKey=ANQVLWFWMQHVLK-UHFFFAOYSA-N
Formula
C30H20Cl3N9O12S3
Mass
901.07
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Benzene and substituted derivatives
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Subclass
Benzenesulfonic acids and derivatives
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Level 5
Sulfobenzoic acids
- Level 6 3-sulfobenzoic acids
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Level 5
Sulfobenzoic acids
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Subclass
Benzenesulfonic acids and derivatives
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Class
Benzene and substituted derivatives
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Superclass
Benzenoids
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
Benzenesulfonyl compounds 1-sulfo,2-unsubstituted aromatic compounds Benzoic acids Benzoyl derivatives Aniline and substituted anilines Phenylhydrazines Aminopyrimidines and derivatives 2-halopyrimidines Imidolactams Aryl chlorides Azines Heteroaromatic compounds Formazans Organosulfonic acids Sulfonyls Azo compounds Cyclic ketones Amino acids Secondary amines Propargyl-type 1,3-dipolar organic compounds Carboxylic acids Azacyclic compounds Hydrocarbon derivatives Organochlorides Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
3-sulfobenzoic acid - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Benzoic acid or derivatives - Benzoic acid - 1-sulfo,2-unsubstituted aromatic compound - Benzoyl - Aniline or substituted anilines - Phenylhydrazine - Aminopyrimidine - 2-halopyrimidine - Halopyrimidine - Aryl chloride - Aryl halide - Azine - Pyrimidine - Imidolactam - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Heteroaromatic compound - Formazan - Sulfonyl - Amino acid - Ketone - Cyclic ketone - Amino acid or derivatives - Azo compound - Propargyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Azacycle - Organic 1,3-dipolar compound - Carboxylic acid - Carboxylic acid derivative - Secondary amine - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Hydrazine derivative - Organohalogen compound - Organochloride - Organic oxide - Amine - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur 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