Compound Identification
SMILES
CC(C)C1=CC(C(C)C)=C(OCCCC(F)(F)F)C(=C1)C1=C(SC=C1)\C=C\C(\C)=C\C(O)=O
InChIKey
InChIKey=IYEYWGTZLZAJDI-OZOLYBCPSA-N
Formula
C26H31F3O3S
Mass
480.59
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Cumenes
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Cumenes
Intermediate Tree Nodes
Not available
Direct Parent
Cumenes
Alternative Parents
Phenylpropanes 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
Cumene - Phenylpropane - Phenoxy compound - Medium-chain fatty acid - Phenol ether - Alkyl aryl ether - Branched fatty acid - Halogenated fatty acid - Methyl-branched fatty acid - Heterocyclic fatty acid - Fatty acyl - Fatty acid - Unsaturated fatty acid - Heteroaromatic compound - Thiophene - Carboxylic acid derivative - Carboxylic acid - Ether - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Alkyl halide - Hydrocarbon derivative - Alkyl fluoride - Organic oxygen compound - Carbonyl group - Organooxygen compound - Organic oxide - Organohalogen compound - Organofluoride - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as cumenes. These are aromatic compounds containing a prop-2-ylbenzene moiety.
External Descriptors
Not available