Compound Identification
SMILES
CC[C@H]1O[C@H](CC=C(Cl)C[C@@H]1Br)[C@H](OC(C)=O)[C@@H](Cl)\C=C/C#C
InChIKey
InChIKey=YJTPAUDBSKEZCC-AJRMRATJSA-N
Formula
C17H21BrCl2O3
Mass
424.16
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Oxocins
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Oxocins
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Oxocins
Alternative Parents
Carboxylic acid esters Vinyl chlorides Oxacyclic compounds Monocarboxylic acids and derivatives Dialkyl ethers Chloroalkenes Acetylides Organochlorides Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl chlorides Alkyl bromides
Molecular Framework
Aliphatic heteromonocyclic compounds
Substituents
Oxocin - Carboxylic acid ester - Carboxylic acid derivative - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Acetylide - Vinyl chloride - Vinyl halide - Haloalkene - Chloroalkene - Oxacycle - Organobromide - Organohalogen compound - Organochloride - Organooxygen compound - Carbonyl group - Organic oxygen compound - Alkyl bromide - Alkyl chloride - Alkyl halide - Hydrocarbon derivative - Organic oxide - Aliphatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as oxocins. These are compounds containing an oxocin ring, which is a eight-member unsaturated aromatic ring containing one oxygen atom and seven carbon atoms.
External Descriptors
Not available