Compound Identification
SMILES
CC1=C(CC(NC(=O)CC2=CC=CS2)B(O)O)C=C(C=C1)C(O)=O
InChIKey
InChIKey=JOAHHIHIDZTMTL-UHFFFAOYSA-N
Formula
C16H18BNO5S
Mass
347.19
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
Benzoyl derivatives Toluenes Thiophenes Heteroaromatic compounds Secondary carboxylic acid amides Boronic acids Organic metalloid salts Carboxylic acids Organonitrogen compounds Organic oxides Monoalkylboranes Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzoic acid - Benzoyl - Toluene - Thiophene - Heteroaromatic compound - Boronic acid derivative - Boronic acid - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid - Carboxylic acid derivative - Organoheterocyclic compound - Organic metalloid salt - Alkylborane - Monoalkylborane - Organooxygen compound - Organonitrogen compound - Organic metalloid moeity - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - 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