Compound Identification
SMILES
[H+].[Na+].[Na+].[Cr+3].NC1=C(N=NC2=C([O-])C(=CC(=C2)S([O-])(=O)=O)C([O-])=O)C2=C(C=C1)C(=O)\C(=N/NC1=CC(=CC(=C1[O-])S([O-])(=O)=O)[N+]([O-])=O)C(=C2)S([O-])(=O)=O
InChIKey
InChIKey=YGGDOZGKSPHPBF-VHJICMFDSA-I
Formula
C23H11CrN6Na2O16S3
Mass
821.52
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Benzene and substituted derivatives
-
Subclass
Benzenesulfonic acids and derivatives
-
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
-
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
Sulfosalicylic acids and derivatives Metal p-nitrophenoxides Naphthalenes 1-sulfo,2-unsubstituted aromatic compounds Benzenesulfonyl compounds Benzoic acids Nitrobenzenes Aryl ketones Phenylhydrazines Benzoyl derivatives Nitroaromatic compounds Phenoxides Organosulfonic acids Vinylogous acids Sulfonyls Carboxylic acid salts Azo compounds Amino acids Organic oxoazanium compounds Hydrazones Carboxylic acids Propargyl-type 1,3-dipolar organic compounds Organic oxides Organic sodium salts Hydrocarbon derivatives Primary amines Organic chromium salts Organic cations
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
3-sulfobenzoic acid - Sulfosalicylic acid or derivatives - Metal p-nitrophenoxide - Naphthalene - Arylsulfonic acid or derivatives - Benzenesulfonyl group - 1-sulfo,2-unsubstituted aromatic compound - Benzoic acid or derivatives - Benzoic acid - Nitrobenzene - Nitroaromatic compound - Phenylhydrazine - Benzoyl - Aryl ketone - Phenoxide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Vinylogous acid - Amino acid - Azo compound - Organic nitro compound - Carboxylic acid salt - C-nitro compound - Amino acid or derivatives - Ketone - Organic alkali metal salt - Organic transition metal salt - Carboxylic acid derivative - Carboxylic acid - Hydrazone - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic salt - Organic chromium salt - Organic sodium salt - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Amine - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Primary amine - Organic cation - Aromatic homopolycyclic 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