Compound Identification
SMILES
[Li+].[Na+].[Cr+3].CC1=NN(C(=O)[C-]1\N=N/C1=CC=C(C=C1C([O-])=O)S([O-])(=O)=O)C1=CC=CC=C1.[O-]C(=O)C1=CC=CC=C1\N=C/C1=CC(=CC=C1[O-])N=NC1=C(Cl)C=CC(Cl)=C1
InChIKey
InChIKey=JFBDUXURSILRLA-MVKDLOINSA-J
Formula
C37H22Cl2CrLiN7NaO9S
Mass
893.51
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
-
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
Alpha amino acid amides Phenylpyrazoles Benzoic acids 1-sulfo,2-unsubstituted aromatic compounds Benzoyl derivatives Phenoxides Heterocyclic fatty acids Halogenated fatty acids Chlorobenzenes Branched fatty acids Unsaturated fatty acids Pyrazolones Sulfonyls Organosulfonic acids Heteroaromatic compounds Lactams Carboxylic acid salts Azo compounds Vinyl chlorides Propargyl-type 1,3-dipolar organic compounds Organic metal halides Organic lithium salts Monocarboxylic acids and derivatives Chloroalkenes Carboxylic acids Azacyclic compounds Aldimines Organopnictogen compounds Organooxygen compounds Organochlorides Organic sodium salts Organic oxides Organic chromium salts Hydrocarbon derivatives
Molecular Framework
Not available
Substituents
3-sulfobenzoic acid - Alpha-amino acid amide - Phenylpyrazole - Alpha-amino acid or derivatives - 1-sulfo,2-unsubstituted aromatic compound - Benzoic acid - Benzoic acid or derivatives - Arylsulfonic acid or derivatives - Benzoyl - Phenoxide - Heterocyclic fatty acid - Halogenated fatty acid - Halobenzene - Chlorobenzene - Branched fatty acid - Fatty acyl - Fatty acid - Unsaturated fatty acid - Pyrazolinone - Heteroaromatic compound - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Pyrazoline - Pyrazole - Azole - Lactam - Carboxylic acid salt - Azo compound - Organic metal halide - Organic lithium salt - Azacycle - Organic alkali metal salt - Organic transition metal salt - Chloroalkene - Haloalkene - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Vinyl halide - Vinyl chloride - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Aldimine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic chromium salt - Organic oxide - Hydrocarbon derivative - Organic sodium salt - Organic salt - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Imine - 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