Compound Identification
SMILES
OC(=O)\C=C/C(O)=O.ClC1=CC=C(C=C1)C1SC2(CCN(CC3CC3)CC2)C2=CC=CC=C12
InChIKey
InChIKey=CAHNWUMVBMAGFM-BTJKTKAUSA-N
Formula
C26H28ClNO4S
Mass
486.02
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Halobenzenes
- Level 5 Chlorobenzenes
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Subclass
Halobenzenes
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Halobenzenes
Intermediate Tree Nodes
Not available
Direct Parent
Chlorobenzenes
Alternative Parents
Aralkylamines Unsaturated fatty acids Piperidines Dicarboxylic acids and derivatives Aryl chlorides Trialkylamines Dialkylthioethers Carboxylic acids Azacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Not available
Substituents
Chlorobenzene - Aralkylamine - Aryl chloride - Aryl halide - Dicarboxylic acid or derivatives - Piperidine - Unsaturated fatty acid - Fatty acid - Fatty acyl - Tertiary aliphatic amine - Tertiary amine - Dialkylthioether - Azacycle - Thioether - Carboxylic acid - Carboxylic acid derivative - Organoheterocyclic compound - Organic oxide - Organochloride - Organohalogen compound - Amine - Organic nitrogen compound - Organonitrogen compound - Organic oxygen compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as chlorobenzenes. These are compounds containing one or more chlorine atoms attached to a benzene moiety.
External Descriptors
Not available