Compound Identification
SMILES
COC1=CC(\C=C\C(=O)C2=CC=C(S2)C(O)=O)=CC2=C1OCCO2
InChIKey
InChIKey=RCWYAEMFHFEXFA-NSCUHMNNSA-N
Formula
C17H14O6S
Mass
346.35
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
Benzo-1,4-dioxanes Thiophene carboxylic acids Styrenes Aryl ketones Anisoles Alkyl aryl ethers 2,5-disubstituted thiophenes Para dioxins Heteroaromatic compounds Enones Acryloyl compounds Oxacyclic compounds Carboxylic acids Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cinnamic acid or derivatives - Benzo-1,4-dioxane - Benzodioxane - Anisole - Phenol ether - Styrene - Thiophene carboxylic acid - Thiophene carboxylic acid or derivatives - Aryl ketone - 2,5-disubstituted thiophene - Alkyl aryl ether - Benzenoid - Para-dioxin - Heteroaromatic compound - Alpha,beta-unsaturated ketone - Thiophene - Enone - Acryloyl-group - Ketone - Ether - Oxacycle - Carboxylic acid - Carboxylic acid derivative - Organoheterocyclic compound - Hydrocarbon derivative - Organooxygen compound - Organic oxygen compound - Organic oxide - Aromatic heteropolycyclic 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