Compound Identification
SMILES
[Na+].[Cr+3].CC1=NN(C([O-])=C1N=NC1=C(C=CC(=C1)S([O-])(=O)=O)C([O-])=O)C1=CC(=CC(C)=C1)S([O-])(=O)=O
InChIKey
InChIKey=YPBWXDKFSCLKKT-UHFFFAOYSA-J
Formula
C18H12CrN4NaO9S2
Mass
567.42
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 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
Phenylpyrazoles 1-sulfo,2-unsubstituted aromatic compounds Benzenesulfonyl compounds Benzoic acids Benzoyl derivatives Toluenes Sulfonyls Organosulfonic acids Heteroaromatic compounds Azo compounds Carboxylic acid salts Carboxylic acids Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Hydrocarbon derivatives Organooxygen compounds Organic chromium salts Organic oxides Organic sodium salts Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
4-sulfobenzoic acid - Phenylpyrazole - Arylsulfonic acid or derivatives - Benzoic acid or derivatives - Benzenesulfonyl group - Benzoic acid - 1-sulfo,2-unsubstituted aromatic compound - Benzoyl - Toluene - Azole - Heteroaromatic compound - Pyrazole - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Azo compound - Carboxylic acid salt - Propargyl-type 1,3-dipolar organic compound - Azacycle - Carboxylic acid derivative - Carboxylic acid - Organic alkali metal salt - Organic transition metal salt - Organoheterocyclic compound - Organic 1,3-dipolar compound - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Organooxygen compound - Organosulfur compound - Organic chromium salt - Organic oxide - Organic sodium salt - Hydrocarbon derivative - 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