Compound Identification
SMILES
O=CC(=O)C1=CC(C(=O)C=O)=C(S1)C1=CC=CC=C1
InChIKey
InChIKey=TWPZHSSICBZKCA-UHFFFAOYSA-N
Formula
C14H8O4S
Mass
272.27
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic oxygen compounds
-
Class
Organooxygen compounds
-
Subclass
Carbonyl compounds
-
Level 5
Ketones
- Level 6 Aryl ketones
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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
Direct Parent
Aryl ketones
Alternative Parents
2,3,5-trisubstituted thiophenes Benzene and substituted derivatives Heteroaromatic compounds Alpha ketoaldehydes Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Aryl ketone - 2,3,5-trisubstituted thiophene - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Thiophene - Alpha-ketoaldehyde - Organoheterocyclic compound - Organic oxide - Hydrocarbon derivative - Aldehyde - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as aryl ketones. These are organic aromatic compounds that contain a ketone group substituted at one C-atom with an aryl group. They have the generic structure RC(=O)R', where R = aryl group and R'=organyl group.
External Descriptors
Not available