Compound Identification
SMILES
COC1=C(OC)C(OC)=C(C=CC(=O)SC2=CC=C(Br)C=C2)C=C1
InChIKey
InChIKey=KJVGJXYPZOGMCU-UHFFFAOYSA-N
Formula
C18H17BrO4S
Mass
409.29
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
Thiophenol esters Anisoles Aryl thioethers Styrenes Phenoxy compounds Methoxybenzenes Alkyl aryl ethers Bromobenzenes Aryl bromides Carbothioic S-esters Thioesters Carboxylic acids and derivatives Sulfenyl compounds Hydrocarbon derivatives Carbonyl compounds Organobromides Organic oxides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Cinnamic acid or derivatives - Thiophenol ester - Phenoxy compound - Aryl thioether - Anisole - Methoxybenzene - Phenol ether - Styrene - Alkyl aryl ether - Halobenzene - Bromobenzene - Aryl bromide - Benzenoid - Monocyclic benzene moiety - Aryl halide - Carbothioic s-ester - Thiocarboxylic acid ester - Ether - Carboxylic acid derivative - Sulfenyl compound - Thiocarboxylic acid or derivatives - Organic oxygen compound - Organohalogen compound - Carbonyl group - Organobromide - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - 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