Compound Identification
SMILES
CCOC1=CC=CC(\C=C\C(=O)C2=CC=C(S2)C([O-])=O)=C1OC
InChIKey
InChIKey=BWGPVOPULGYWOX-BQYQJAHWSA-M
Formula
C17H15O5S
Mass
331.36
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 Phenoxy compounds Methoxybenzenes Anisoles Aryl ketones 2,5-disubstituted thiophenes Alkyl aryl ethers Acryloyl compounds Heteroaromatic compounds Enones Carboxylic acid salts Carboxylic acids Organic oxides Hydrocarbon derivatives Organic anions
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Cinnamic acid or derivatives - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Styrene - Aryl ketone - Thiophene carboxylic acid - Thiophene carboxylic acid or derivatives - Alkyl aryl ether - 2,5-disubstituted thiophene - Monocyclic benzene moiety - Benzenoid - Acryloyl-group - Heteroaromatic compound - Enone - Alpha,beta-unsaturated ketone - Thiophene - Ketone - Carboxylic acid salt - Ether - Carboxylic acid - Carboxylic acid derivative - Organoheterocyclic compound - Organic oxide - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - 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