Compound Identification
SMILES
COC1=CC=C(CC#CC2=CN3C(S2)=C(C)S(=O)(=O)N(CC2=CC=C(C=C2)C(O)=O)C3=O)C=C1
InChIKey
InChIKey=ZTKNVFKMSCGXNQ-UHFFFAOYSA-N
Formula
C24H20N2O6S2
Mass
496.55
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
Benzoic acids and derivatives
- Level 5 Benzoic acids
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Subclass
Benzoic 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
Benzoic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Benzoic acids
Alternative Parents
Phenoxy compounds Methoxybenzenes Benzoyl derivatives Anisoles Sulfonylureas Alkyl aryl ethers Thiadiazines Thiazolines Organosulfonic acids and derivatives Thioenol ethers Carboxylic acids Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoic acid - Phenoxy compound - Anisole - Benzoyl - Phenol ether - Methoxybenzene - Alkyl aryl ether - Sulfonylurea - Thiadiazine - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Meta-thiazoline - Thioenolether - Azacycle - Ether - Carboxylic acid - Carboxylic acid derivative - Organoheterocyclic compound - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic 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