Compound Identification
SMILES
[Na+].[Na+].[Na+].[Cr+3].CC1=NN(C(=O)\C1=N/NC1=C(C=CC(=C1)S([O-])(=O)=O)C([O-])=O)C1=C(C)C=C(C=C1)S([O-])(=O)=O
InChIKey
InChIKey=FVZFFKXYYNKHLH-GGTPEFNNSA-K
Formula
C18H13CrN4Na3O9S2
Mass
614.4
Taxonomic Classification
Taxonomy Tree
-
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 4-sulfobenzoic acids
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Level 5
Sulfobenzoic acids
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Subclass
Benzenesulfonic acids and derivatives
-
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
4-sulfobenzoic acids
Alternative Parents
1-sulfo,2-unsubstituted aromatic compounds Benzenesulfonyl compounds Benzoic acids Phenylhydrazines Benzoyl derivatives Toluenes Pyrazolones Vinylogous amides Sulfonyls Organosulfonic acids Carboxylic acid salts Azacyclic compounds Hydrazones Carboxylic acids Organic sodium salts Carbonyl compounds Hydrocarbon derivatives Organic chromium salts Organic oxides Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
4-sulfobenzoic acid - Arylsulfonic acid or derivatives - Benzoic acid or derivatives - Benzoic acid - Benzenesulfonyl group - 1-sulfo,2-unsubstituted aromatic compound - Benzoyl - Phenylhydrazine - Toluene - Pyrazolinone - Sulfonyl - Organic sulfonic acid or derivatives - Vinylogous amide - Organosulfonic acid or derivatives - Organosulfonic acid - Pyrazoline - Carboxylic acid salt - Carboxylic acid derivative - Azacycle - Carboxylic acid - Hydrazone - Organic alkali metal salt - Organic transition metal salt - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Organic chromium salt - Organic oxygen compound - Organic nitrogen compound - Organosulfur compound - Organic oxide - Hydrocarbon derivative - Organic sodium salt - Carbonyl group - Organic salt - Organic cation - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as 4-sulfobenzoic acids. These are sulfobenzoic acid carrying the sulfonyl group at the 4-position of the benzene group.
External Descriptors
Not available