Compound Identification
SMILES
COC1=C(OC)C(Cl)=CC(\C=C\C(=O)C2=CC=C(S2)C(O)=O)=C1
InChIKey
InChIKey=NLGOZIUCNBWAIY-ONEGZZNKSA-N
Formula
C16H13ClO5S
Mass
352.79
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
Dimethoxybenzenes Thiophene carboxylic acids Styrenes Phenoxy compounds Anisoles Aryl ketones 2,5-disubstituted thiophenes Alkyl aryl ethers Chlorobenzenes Aryl chlorides Heteroaromatic compounds Acryloyl compounds Enones Carboxylic acids Organochlorides Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Cinnamic acid or derivatives - O-dimethoxybenzene - Dimethoxybenzene - Phenoxy compound - Anisole - Phenol ether - Styrene - Methoxybenzene - Thiophene carboxylic acid - Thiophene carboxylic acid or derivatives - Aryl ketone - Alkyl aryl ether - Chlorobenzene - Halobenzene - 2,5-disubstituted thiophene - Benzenoid - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Heteroaromatic compound - Thiophene - Alpha,beta-unsaturated ketone - Enone - Acryloyl-group - Ketone - Organoheterocyclic compound - Ether - Carboxylic acid - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organohalogen compound - Organochloride - Organooxygen compound - 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