Compound Identification
SMILES
COC1=C(C(=S)CC2=CC=CC=C2)\C(CC(=C)C1=O)=C/O
InChIKey
InChIKey=DEPBVAFVBCJREC-RAXLEYEMSA-N
Formula
C17H16O3S
Mass
300.37
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
M-quinodimethanes Cyclohexenones Benzene and substituted derivatives Thioketones Enols Organic oxides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
O-quinomethane - M-quinodimethane - Cyclohexenone - Benzenoid - Monocyclic benzene moiety - Thioketone - Enol - Organic oxide - Hydrocarbon derivative - Thiocarbonyl group - Organosulfur 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