Compound Identification
SMILES
COC1=C(OS(=O)(=O)C2=CC=C(C)C=C2)C=CC(\C=C\C(=O)C2=CC=CS2)=C1
InChIKey
InChIKey=VMLCVILAJZBLQA-YRNVUSSQSA-N
Formula
C21H18O5S2
Mass
414.49
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
p-Methylbenzenesulfonates Benzenesulfonate esters Tosyl compounds Arylsulfonic acids and derivatives Benzenesulfonyl compounds Anisoles Aryl ketones Styrenes Methoxybenzenes Phenoxy compounds Alkyl aryl ethers Organosulfonic acid esters Heteroaromatic compounds Enones Acryloyl compounds Sulfonyls Thiophenes Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Cinnamic acid or derivatives - P-methylbenzenesulfonate - Benzenesulfonate ester - Benzenesulfonate - Tosyl compound - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Methoxybenzene - Phenol ether - Aryl ketone - Phenoxy compound - Styrene - Anisole - Alkyl aryl ether - Toluene - Monocyclic benzene moiety - Benzenoid - Organosulfonic acid ester - Acryloyl-group - Heteroaromatic compound - Enone - Alpha,beta-unsaturated ketone - Thiophene - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Ketone - Ether - Organoheterocyclic compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - 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