Compound Identification
SMILES
CS(=O)(=O)C1=C(N\N=C2\C(=O)C3=C(NC4=NC(Cl)=NC(NC5=C(C=C(C=C5)S([O-])(=O)=O)C(O)=O)=N4)C=C(C=C3C=C2S([O-])(=O)=O)S([O-])(=O)=O)C=CC2=CC=CC=C12
InChIKey
InChIKey=UMIYRADJGDIKFI-SBWWSWLISA-K
Formula
C31H19ClN7O14S4
Mass
877.22
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
-
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
Naphthalenes 1-sulfo,2-unsubstituted aromatic compounds Benzenesulfonyl compounds Benzoic acids 1,3,5-triazine-2,4-diamines Phenylhydrazines Aniline and substituted anilines Aryl ketones Benzoyl derivatives Chloro-s-triazines Aryl chlorides Vinylogous amides Sulfones Organosulfonic acids Heteroaromatic compounds Amino acids Secondary amines Hydrazones Azacyclic compounds Carboxylic acids Hydrocarbon derivatives Organochlorides Organic oxides Organic anions
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3-sulfobenzoic acid - Naphthalene - 1-sulfo,2-unsubstituted aromatic compound - Benzoic acid - Benzoic acid or derivatives - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Phenylhydrazine - 2,4-diamine-s-triazine - Aryl ketone - Benzoyl - Aniline or substituted anilines - Halo-s-triazine - Chloro-s-triazine - Amino-1,3,5-triazine - Aminotriazine - Triazine - 1,3,5-triazine - Aryl halide - Aryl chloride - Heteroaromatic compound - Vinylogous amide - Sulfonyl - Sulfone - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Amino acid - Amino acid or derivatives - Ketone - Secondary amine - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Hydrazone - Amine - Organochloride - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organosulfur compound - Organic oxygen compound - Organooxygen compound - Organic oxide - Organohalogen compound - Organic anion - Aromatic heteropolycyclic 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