Compound Identification
SMILES
CC1=CC(=CC=C1)S(=O)(=O)NC1=CC=C(OCCOC2=CC=CC=C2CCC(O)=O)C=C1.COC(=O)C1=CC=CC=C1S(=O)(=O)NC1=CC=C(OCCOC2=CC=CC=C2CCC(O)=O)C=C1
InChIKey
InChIKey=HUZQUMHLZIWMPA-UHFFFAOYSA-N
Formula
C49H50N2O14S2
Mass
955.06
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
- Class Phenylpropanoic acids
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Phenylpropanoic acids
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpropanoic acids
Alternative Parents
Sulfanilides Benzenesulfonamides Benzoic acid esters Benzenesulfonyl compounds Phenoxy compounds Phenol ethers Benzoyl derivatives Toluenes Alkyl aryl ethers Organosulfonamides Methyl esters Aminosulfonyl compounds Carboxylic acids Monocarboxylic acids and derivatives Carbonyl compounds Organic oxides Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework
Not available
Substituents
3-phenylpropanoic-acid - Benzenesulfonamide - Benzoate ester - Sulfanilide - Benzenesulfonyl group - Benzoic acid or derivatives - Phenoxy compound - Benzoyl - Phenol ether - Alkyl aryl ether - Toluene - Monocyclic benzene moiety - Benzenoid - Organosulfonic acid amide - Methyl ester - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Carboxylic acid ester - Monocarboxylic acid or derivatives - Ether - Carboxylic acid - Carboxylic acid derivative - Organonitrogen compound - Carbonyl group - Organic nitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenylpropanoic acids. These are compounds with a structure containing a benzene ring conjugated to a propanoic acid.
External Descriptors
Not available