Compound Identification
SMILES
CC1=CC=C(C=C1)S([O-])(=O)=O.CCN(CC)C1=CC=C(C=C1)C(=C\C(=O)OCC[N+]1(C)C=C[NH+]=C1)\C#N
InChIKey
InChIKey=WDUGHFIWKOUANY-LSJACRKWSA-N
Formula
C27H33N4O5S
Mass
525.64
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Cinnamic acids and derivatives
- Subclass Cinnamic acid esters
-
Class
Cinnamic acids and derivatives
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Cinnamic acids and derivatives
Subclass
Cinnamic acid esters
Intermediate Tree Nodes
Not available
Direct Parent
Cinnamic acid esters
Alternative Parents
p-Methylbenzenesulfonates Tosyl compounds Benzenesulfonyl compounds 1-sulfo,2-unsubstituted aromatic compounds Styrenes Dialkylarylamines Aniline and substituted anilines Fatty acid esters Sulfonyls Quaternary ammonium salts Enoate esters Organosulfonic acids Amino acids and derivatives Carboxamidines Azacyclic compounds Carboximidamides Monocarboxylic acids and derivatives Nitriles Organic oxides Carbonyl compounds Hydrocarbon derivatives Organic cations
Molecular Framework
Not available
Substituents
Cinnamic acid ester - P-methylbenzenesulfonate - Benzenesulfonate - Tosyl compound - Arylsulfonic acid or derivatives - Benzenesulfonyl group - 1-sulfo,2-unsubstituted aromatic compound - Styrene - Tertiary aliphatic/aromatic amine - Aniline or substituted anilines - Dialkylarylamine - Fatty acid ester - Toluene - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Quaternary ammonium salt - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Tertiary amine - Carboxylic acid ester - Amino acid or derivatives - Carboximidamide - Organoheterocyclic compound - Azacycle - Carboxylic acid amidine - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Amidine - Cyanide - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Carbonyl group - Organic oxide - Amine - Organic cation - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as cinnamic acid esters. These are compound containing an ester derivative of cinnamic acid.
External Descriptors
Not available