Compound Identification
SMILES
[B][C@@H](NC(=O)CC1=CC=CS1)C1=CC=CC(=C1)C(O)=O
InChIKey
InChIKey=JARJTAZLCBIHRT-ZDUSSCGKSA-N
Formula
C14H12BNO3S
Mass
285.12
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 Thiophenes Heteroaromatic compounds Secondary carboxylic acid amides Organic metalloid salts Carboxylic acids Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkylboranes
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzoic acid - Benzoyl - Thiophene - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Carboxylic acid - Organoheterocyclic compound - Organic metalloid salt - Organooxygen compound - Organonitrogen compound - Organic metalloid moeity - Organic nitrogen compound - Alkylborane - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Carbonyl group - 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