Compound Identification
SMILES
[Na+].CCC(CSC(CCC1=CC=CC=C1C(N)=O)C1=CC(OCC2=NC3=C(C=CC(Cl)=C3)C=C2)=CC=C1)C([O-])=O
InChIKey
InChIKey=HNTYTLAKYXYMEQ-UHFFFAOYSA-M
Formula
C31H30ClN2NaO4S
Mass
585.09
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Linear 1,3-diarylpropanoids
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Linear 1,3-diarylpropanoids
Alternative Parents
Chloroquinolines Benzamides Phenoxy compounds Phenol ethers Benzoyl derivatives Alkyl aryl ethers Pyridines and derivatives Aryl chlorides Heteroaromatic compounds Primary carboxylic acid amides Carboxylic acid salts Sulfenyl compounds Azacyclic compounds Carboxylic acids Dialkylthioethers Organic metal halides Monocarboxylic acids and derivatives Organic sodium salts Organonitrogen compounds Organic oxides Organochlorides Organic zwitterions Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Linear 1,3-diarylpropanoid - Haloquinoline - Chloroquinoline - Quinoline - Benzamide - Benzoic acid or derivatives - Phenoxy compound - Benzoyl - Phenol ether - Alkyl aryl ether - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Pyridine - Benzenoid - Heteroaromatic compound - Carboxamide group - Carboxylic acid salt - Primary carboxylic acid amide - Organic alkali metal salt - Organoheterocyclic compound - Dialkylthioether - Organic metal halide - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Azacycle - Sulfenyl compound - Thioether - Organic salt - Organic nitrogen compound - Organic zwitterion - Organic oxide - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Carbonyl group - Organic oxygen compound - Organic sodium salt - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as linear 1,3-diarylpropanoids. These are organic compounds with a structure based on a C6-C3-C6 skeleton, where the two benzene rings are not linked together.
External Descriptors
Not available