Compound Identification
SMILES
[Cr+3].CC1=C(\N=N\C2=CC=CC=C2C(O)=O)C(=O)N([N-]1)C1=CC=CC=C1.CC1=C(\N=N\C2=C(C=CC(=C2)S(O)(=O)=O)C(O)=O)C(=[OH+])N([N-]1)C1=CC=CC=C1
InChIKey
InChIKey=APYSMHOMUGBROM-UHFFFAOYSA-M
Formula
C34H27CrN8O9S
Mass
775.69
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
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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
4-sulfobenzoic acids
Alternative Parents
Alpha amino acid amides Phenylpyrazoles Benzoic acids 1-sulfo,2-unsubstituted aromatic compounds Benzoyl derivatives 1-carboxy-2-haloaromatic compounds Heterocyclic fatty acids Branched fatty acids Unsaturated fatty acids Pyrazolones Sulfonyls Organosulfonic acids Heteroaromatic compounds Lactams Azo compounds Monocarboxylic acids and derivatives Carbene-type 1,3-dipolar compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organic oxides Organic chromium salts Hydrocarbon derivatives Organic cations
Molecular Framework
Not available
Substituents
4-sulfobenzoic acid - Alpha-amino acid amide - Phenylpyrazole - 1-sulfo,2-unsubstituted aromatic compound - Benzoic acid - Benzoic acid or derivatives - Arylsulfonic acid or derivatives - 1-carboxy-2-haloaromatic compound - Benzoyl - Heterocyclic fatty acid - 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 - Azo compound - Azacycle - Organic transition metal salt - Organoheterocyclic compound - Carbene-type 1,3-dipolar compound - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic chromium salt - Organic oxide - Hydrocarbon derivative - Organic salt - Organosulfur compound - Organooxygen compound - Organonitrogen compound - 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