Compound Identification
SMILES
CS(O)(=O)=O.CCCCC1=NC=C(C=C(CC2=CC=CS2)C(O)=O)N1CC1=CC=C(C=C1)C(O)=O
InChIKey
InChIKey=DJSLTDBPKHORNY-UHFFFAOYSA-N
Formula
C24H28N2O7S2
Mass
520.62
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Benzoic acids and derivatives
- Level 5 Benzoic acids
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Subclass
Benzoic acids and derivatives
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Benzoic acids
Alternative Parents
1,2,5-trisubstituted imidazoles Imidazolyl carboxylic acids and derivatives Benzoyl derivatives N-substituted imidazoles Thiophenes Sulfonyls Organosulfonic acids Alkanesulfonic acids Methanesulfonates Heteroaromatic compounds Monocarboxylic acids and derivatives Azacyclic compounds Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds
Molecular Framework
Not available
Substituents
Benzoic acid - 1,2,5-trisubstituted-imidazole - Benzoyl - Imidazolyl carboxylic acid derivative - Trisubstituted imidazole - N-substituted imidazole - Azole - Heteroaromatic compound - Imidazole - Alkanesulfonic acid - Thiophene - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Methanesulfonate - Carboxylic acid derivative - Carboxylic acid - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organic oxide - Organosulfur compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzoic acids. These are organic Compounds containing a benzene ring which bears at least one carboxyl group.
External Descriptors
Not available