Compound Identification
SMILES
OC(=O)COC1=C(SC(=C1Br)C1=CC=CC=C1)C(O)=O
InChIKey
InChIKey=MVDWLRCTJUXCCB-UHFFFAOYSA-N
Formula
C13H9BrO5S
Mass
357.17
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Thiophenes
-
Subclass
Thiophene carboxylic acids and derivatives
- Level 5 Thiophene carboxylic acids
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Subclass
Thiophene carboxylic acids and derivatives
-
Class
Thiophenes
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Thiophenes
Subclass
Thiophene carboxylic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Thiophene carboxylic acids
Alternative Parents
Alkyl aryl ethers Dicarboxylic acids and derivatives Benzene and substituted derivatives Aryl bromides Heteroaromatic compounds Carboxylic acids Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Thiophene carboxylic acid - Alkyl aryl ether - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Benzenoid - Heteroaromatic compound - Ether - Carboxylic acid - Carboxylic acid derivative - Organobromide - Organohalogen compound - Carbonyl group - Organooxygen compound - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as thiophene carboxylic acids. These are compounds containing a thiophene ring which bears a carboxylic acid group.
External Descriptors
Not available