Compound Identification
SMILES
CCCC1=C(OCCCSC2=C(Cl)C=C(CC(=O)OC)C=C2)C=C\C(=C(/NO)C(C)C)C1=O
InChIKey
InChIKey=SCPIBJCFRMXXCV-LYBHJNIJSA-N
Formula
C25H32ClNO5S
Mass
494.04
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
Thiophenol ethers Chlorobenzenes Alkylarylthioethers Aryl chlorides Vinylogous esters Vinylogous amides Methyl esters Sulfenyl compounds N-organohydroxylamines Monocarboxylic acids and derivatives Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
O-quinomethane - Aryl thioether - Thiophenol ether - Chlorobenzene - Halobenzene - Alkylarylthioether - Aryl halide - Benzenoid - Monocyclic benzene moiety - Aryl chloride - Vinylogous amide - Methyl ester - Vinylogous ester - Carboxylic acid ester - Sulfenyl compound - N-organohydroxylamine - Thioether - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organosulfur compound - Organic oxide - 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