Compound Identification
SMILES
CC1=CC(C=C2C(=O)C3=CC=CC=C3C2=O)=C(C)N1C1=C(C(O)=O)C2=C(CCCC2)S1
InChIKey
InChIKey=WGAOZMBVIPIGQR-UHFFFAOYSA-N
Formula
C25H21NO4S
Mass
431.51
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Indanes
-
Subclass
Indanones
- Level 5 Indanediones
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Subclass
Indanones
-
Class
Indanes
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Indanes
Subclass
Indanones
Intermediate Tree Nodes
Not available
Direct Parent
Indanediones
Alternative Parents
Thiophene carboxylic acids Aryl ketones Substituted pyrroles Vinylogous amides Heteroaromatic compounds Carboxylic acids Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Indanedione - Thiophene carboxylic acid - Thiophene carboxylic acid or derivatives - Aryl ketone - Substituted pyrrole - Pyrrole - Heteroaromatic compound - Vinylogous amide - Thiophene - Ketone - Carboxylic acid derivative - Carboxylic acid - Azacycle - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as indanediones. These are compounds containing an indane ring bearing two ketone groups.
External Descriptors
Not available