Compound Identification
SMILES
CCOC1=CC=CC(\C=C\C(=O)C2=CC=C(S2)C([O-])=O)=C1OC(F)F
InChIKey
InChIKey=FVAUTIXRSYBPPR-VOTSOKGWSA-M
Formula
C17H13F2O5S
Mass
367.34
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 Phenol ethers Aryl ketones 2,5-disubstituted thiophenes Alkyl aryl ethers Acryloyl compounds Enones Heteroaromatic compounds Carboxylic acid salts Carboxylic acids Alkyl fluorides Organofluorides Organic oxides Hydrocarbon derivatives Organic anions
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Cinnamic acid or derivatives - Phenoxy compound - Phenol ether - Styrene - Thiophene carboxylic acid - Thiophene carboxylic acid or derivatives - Aryl ketone - 2,5-disubstituted thiophene - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Thiophene - Alpha,beta-unsaturated ketone - Acryloyl-group - Enone - Carboxylic acid salt - Ketone - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Ether - Alkyl fluoride - Hydrocarbon derivative - Alkyl halide - Organic oxide - Organic oxygen compound - Organooxygen compound - Organofluoride - Organohalogen 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