Compound Identification
SMILES
COC1=C(O)C(Cl)=CC(\C=C\C(=O)C2=CC=C(S2)C(O)=O)=C1
InChIKey
InChIKey=PHOMQJJQLYEUSK-NSCUHMNNSA-N
Formula
C15H11ClO5S
Mass
338.76
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Cinnamic acids and derivatives
Subclass
Hydroxycinnamic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Hydroxycinnamic acids and derivatives
Alternative Parents
Methoxyphenols Thiophene carboxylic acids Styrenes Phenoxy compounds O-chlorophenols Methoxybenzenes 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
Hydroxycinnamic acid or derivatives - Methoxyphenol - Phenol ether - Styrene - Thiophene carboxylic acid - Thiophene carboxylic acid or derivatives - 2-chlorophenol - Anisole - Methoxybenzene - 2-halophenol - Aryl ketone - Phenoxy compound - Phenol - 2,5-disubstituted thiophene - Halobenzene - Chlorobenzene - Alkyl aryl ether - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Thiophene - Acryloyl-group - Enone - Heteroaromatic compound - Alpha,beta-unsaturated ketone - Ketone - Ether - Carboxylic acid - Carboxylic acid derivative - Organoheterocyclic compound - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Organochloride - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as hydroxycinnamic acids and derivatives. These are compounds containing an cinnamic acid (or a derivative thereof) where the benzene ring is hydroxylated.
External Descriptors
Not available