Compound Identification
SMILES
CCOC(=O)C(=CC1=C(SC(C(=O)OCC)=C1CBr)C(=O)OCC)C(=O)OCC
InChIKey
InChIKey=ZITPENYVIGROJG-UHFFFAOYSA-N
Formula
C19H23BrO8S
Mass
491.35
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- 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 and derivatives
Alternative Parents
Fatty acid esters Dicarboxylic acids and derivatives Heteroaromatic compounds Enoate esters Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl bromides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Thiophene carboxylic acid or derivatives - Fatty acid ester - Dicarboxylic acid or derivatives - Fatty acyl - Heteroaromatic compound - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Carboxylic acid ester - Carboxylic acid derivative - Organobromide - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Alkyl bromide - Carbonyl group - Alkyl halide - Organooxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as thiophene carboxylic acids and derivatives. These are compounds containing a thiophene ring which bears a carboxylic acid group (or a salt/ester thereof).
External Descriptors
Not available