Compound Identification
SMILES
CCCCC(CC(O)=O)C1=C(OC)C=C(C=C1)S(=O)(=O)C(C)C
InChIKey
InChIKey=WKURTXHYEKHBBR-UHFFFAOYSA-N
Formula
C17H26O5S
Mass
342.45
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
Benzenesulfonyl compounds Phenoxy compounds Methoxybenzenes Medium-chain fatty acids Anisoles Methyl-branched fatty acids Alkyl aryl ethers Sulfones Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
3-phenylpropanoic-acid - Benzenesulfonyl group - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Medium-chain fatty acid - Alkyl aryl ether - Branched fatty acid - Methyl-branched fatty acid - Monocyclic benzene moiety - Fatty acyl - Fatty acid - Benzenoid - Sulfone - Sulfonyl - Monocarboxylic acid or derivatives - Ether - Carboxylic acid - Carboxylic acid derivative - Organic oxide - Organosulfur compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxygen compound - 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