Compound Identification
SMILES
COC1=CC(OC)=C(C=C(C(=O)C(F)(F)F)S(=O)(=O)C2=CC=CC=C2)C=C1
InChIKey
InChIKey=FVHZRDBVJPYYFQ-UHFFFAOYSA-N
Formula
C18H15F3O5S
Mass
400.37
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 Benzenesulfonyl compounds Phenoxy compounds Anisoles Alkyl aryl ethers Alpha-branched alpha,beta-unsaturated ketones Sulfones Enones Alpha-haloketones Acryloyl compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Cinnamic acid or derivatives - Dimethoxybenzene - M-dimethoxybenzene - Benzenesulfonyl group - Phenol ether - Phenoxy compound - Methoxybenzene - Anisole - Alkyl aryl ether - Alpha-branched alpha,beta-unsaturated-ketone - Benzenoid - Monocyclic benzene moiety - Alpha,beta-unsaturated ketone - Sulfonyl - Sulfone - Acryloyl-group - Enone - Alpha-haloketone - Ketone - Ether - Organic oxygen compound - Organohalogen compound - Organofluoride - Organooxygen compound - Carbonyl group - Organosulfur compound - Hydrocarbon derivative - Alkyl halide - Alkyl fluoride - Organic oxide - Aromatic homomonocyclic 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