Compound Identification
SMILES
BrC1=C\C(=C\N[C@@H]2CCCC[C@H]2NP(=S)(C2=CC=CC=C2)C2=CC=CC=C2)C(=O)C=C1
InChIKey
InChIKey=IUYBNDXOVAJVGY-KQQOSTLXSA-N
Formula
C25H26BrN2OPS
Mass
513.43
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic oxygen compounds
-
Class
Organooxygen compounds
-
Subclass
Carbonyl compounds
-
Level 5
Ketones
-
Level 6
Cyclic ketones
-
Level 7
Quinomethanes
- Level 8 O-quinomethanes
-
Level 7
Quinomethanes
-
Level 6
Cyclic ketones
-
Level 5
Ketones
-
Subclass
Carbonyl compounds
-
Class
Organooxygen compounds
-
Superclass
Organic oxygen compounds
Kingdom
Organic compounds
Superclass
Organic oxygen compounds
Class
Organooxygen compounds
Subclass
Carbonyl compounds
Intermediate Tree Nodes
Ketones - Cyclic ketones - Quinomethanes
Direct Parent
O-quinomethanes
Alternative Parents
Cyclohexylamines Benzene and substituted derivatives Vinylogous amides Vinyl bromides Organothiophosphorus compounds Enamines Dialkylamines Bromoalkenes Allylamines Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
O-quinomethane - Cyclohexylamine - Monocyclic benzene moiety - Benzenoid - Vinylogous amide - Secondary aliphatic amine - Enamine - Allylamine - Organothiophosphorus compound - Vinyl bromide - Vinyl halide - Bromoalkene - Haloalkene - Organobromide - Organonitrogen compound - Organophosphorus compound - Organic oxide - Amine - Hydrocarbon derivative - Organic nitrogen compound - Organohalogen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as o-quinomethanes. These are organic compounds containing a benzene ring conjugated to a methylidene group and a ketone at carbon atoms 1 and 2, respectively.
External Descriptors
Not available