Compound Identification
SMILES
CC1=CC=CC=C1\C=C\C(=O)C1=CC=C(S1)C([O-])=O
InChIKey
InChIKey=PRIIMVFIAMDWOA-VOTSOKGWSA-M
Formula
C15H11O3S
Mass
271.31
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Cinnamic acids and derivatives
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Cinnamic acids and derivatives
Alternative Parents
Thiophene carboxylic acids Styrenes Aryl ketones Toluenes 2,5-disubstituted thiophenes Heteroaromatic compounds Enones Acryloyl compounds Carboxylic acid salts Carboxylic acids Organic oxides Hydrocarbon derivatives Organic anions
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Cinnamic acid or derivatives - Styrene - Thiophene carboxylic acid - Thiophene carboxylic acid or derivatives - Aryl ketone - Toluene - 2,5-disubstituted thiophene - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Enone - Acryloyl-group - Alpha,beta-unsaturated ketone - Thiophene - Ketone - Carboxylic acid salt - Carboxylic acid - Organoheterocyclic compound - Carboxylic acid derivative - Organic oxide - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Organic anion - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as cinnamic acids and derivatives. These are organic aromatic compounds containing a benzene and a carboxylic acid group (or a derivative thereof) forming 3-phenylprop-2-enoic acid.
External Descriptors
Not available