Compound Identification
SMILES
CCCCOC1=C(C=C(C=C1C1=C(SC=C1)\C=C\C(\C)=C\C(O)=O)C(C)C)C(C)C
InChIKey
InChIKey=FSXUKMNYRGXSMQ-AXNZTFRGSA-N
Formula
C26H34O3S
Mass
426.62
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 Phenoxy compounds Phenol ethers Medium-chain fatty acids Methyl-branched fatty acids Heterocyclic fatty acids Alkyl aryl ethers Unsaturated fatty acids Thiophenes Heteroaromatic compounds Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Cumene - Phenylpropane - Phenoxy compound - Phenol ether - Medium-chain fatty acid - Branched fatty acid - Alkyl aryl ether - Heterocyclic fatty acid - Methyl-branched fatty acid - Unsaturated fatty acid - Fatty acid - Fatty acyl - Heteroaromatic compound - Thiophene - Monocarboxylic acid or derivatives - Ether - Carboxylic acid - Carboxylic acid derivative - Organoheterocyclic compound - Hydrocarbon derivative - Organooxygen compound - Organic oxide - Organic oxygen compound - Carbonyl group - 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