Compound Identification
SMILES
CCC1=CC(=C(OCCCF)C(=C1)C1=C(SC=C1)\C=C\C(\C)=C\C(O)=O)C(C)(C)C
InChIKey
InChIKey=CRBSWWGXRMKHJV-PICNROBXSA-N
Formula
C25H31FO3S
Mass
430.58
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Phenylpropanes
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Phenylpropanes
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpropanes
Alternative Parents
Medium-chain fatty acids Phenol ethers Phenoxy compounds Alkyl aryl ethers Halogenated fatty acids Heterocyclic fatty acids Methyl-branched fatty acids Unsaturated fatty acids Heteroaromatic compounds Thiophenes Carboxylic acids Monocarboxylic acids and derivatives Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides Organic oxides Organofluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenylpropane - Phenoxy compound - Medium-chain fatty acid - Phenol ether - Alkyl aryl ether - Branched fatty acid - Halogenated fatty acid - Heterocyclic fatty acid - Methyl-branched fatty acid - Fatty acyl - Fatty acid - Unsaturated fatty acid - Heteroaromatic compound - Thiophene - Carboxylic acid derivative - Carboxylic acid - Ether - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Alkyl halide - Alkyl fluoride - Organic oxygen compound - Carbonyl group - Organic oxide - Organohalogen compound - Organofluoride - Organooxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenylpropanes. These are organic compounds containing a phenylpropane moiety.
External Descriptors
Not available