Compound Identification
SMILES
[Ca++].CSC1=C(N2CCC(C([O-])=O)C2=C1)C(=O)C1=CC=CC=C1.CSC1=C(N2CCC(C([O-])=O)C2=C1)C(=O)C1=CC=CC=C1
InChIKey
InChIKey=FHWQBFGYVPKVSI-UHFFFAOYSA-L
Formula
C32H28CaN2O6S2
Mass
640.78
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
Pyrrolizines Benzoyl derivatives Alkylarylthioethers Vinylogous thioesters Substituted pyrroles Heteroaromatic compounds Carboxylic acid salts Sulfenyl compounds Azacyclic compounds Carboxylic acids Monocarboxylic acids and derivatives Organic calcium salts Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organic cations
Molecular Framework
Not available
Substituents
Aryl-phenylketone - Aryl thioether - Benzoyl - Pyrrolizine - Alkylarylthioether - Monocyclic benzene moiety - Substituted pyrrole - Vinylogous thioester - Benzenoid - Pyrrole - Heteroaromatic compound - Carboxylic acid salt - Organoheterocyclic compound - Carboxylic acid - Sulfenyl compound - Thioether - Azacycle - Carboxylic acid derivative - Organic calcium salt - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organic oxide - Organonitrogen compound - Organosulfur compound - Organic salt - Hydrocarbon derivative - Organic cation - Aromatic heteropolycyclic 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