Compound Identification
SMILES
CC1(C)[C@](C)(C(O)=O)[C@]1(C(Br)C(Cl)(Cl)Br)C1=CC=CC2=C1CCCC1=C2SC=C1
InChIKey
InChIKey=AAEVJNFRZJYICD-FUKGKQRISA-N
Formula
C22H22Br2Cl2O2S
Mass
581.18
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Cycloheptathiophenes
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Cycloheptathiophenes
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Cycloheptathiophenes
Alternative Parents
Cyclopropanecarboxylic acids Benzenoids Thiophenes Heteroaromatic compounds Monocarboxylic acids and derivatives Carboxylic acids Organochlorides Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl chlorides Alkyl bromides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cycloheptathiophene - Cyclopropanecarboxylic acid - Cyclopropanecarboxylic acid or derivatives - Benzenoid - Heteroaromatic compound - Thiophene - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organohalogen compound - Alkyl halide - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Alkyl chloride - Alkyl bromide - Carbonyl group - Organobromide - Organochloride - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as cycloheptathiophenes. These are polycyclic compounds containing a thiophene ring fused to a 7 member carbocyclic moiety. Thiophene is 5-membered ring consisting of four carbon atoms and one sulfur atom.
External Descriptors
Not available