Compound Identification
SMILES
CCOC(=O)C1=C(OOC(C)=O)C(OOC(C)=O)=C(S1)C(=O)C1=CC=CC=C1
InChIKey
InChIKey=RKMNDZNQHLBERU-UHFFFAOYSA-N
Formula
C18H16O9S
Mass
408.38
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic oxygen compounds
-
Class
Organooxygen compounds
-
Subclass
Carbonyl compounds
-
Level 5
Ketones
-
Level 6
Aryl ketones
-
Level 7
Phenylketones
- Level 8 Aryl-phenylketones
-
Level 7
Phenylketones
-
Level 6
Aryl 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 - Aryl ketones - Phenylketones
Direct Parent
Aryl-phenylketones
Alternative Parents
Tricarboxylic acids and derivatives Thiophene carboxylic acids and derivatives Benzoyl derivatives Peroxycarboxylic acids and derivatives Heteroaromatic compounds Acetate salts Carboxylic acid esters Organic salts Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Aryl-phenylketone - Tricarboxylic acid or derivatives - Thiophene carboxylic acid or derivatives - Benzoyl - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Acetate salt - Thiophene - Peroxycarboxylic acid or derivatives - Carboxylic acid salt - Carboxylic acid ester - Organoheterocyclic compound - Carboxylic acid derivative - Organic oxide - Hydrocarbon derivative - Organic salt - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as aryl-phenylketones. These are aromatic compounds containing a ketone substituted by one aryl group, and a phenyl group.
External Descriptors
Not available