Compound Identification
SMILES
CC1=CC=C(C=C1)S(=O)(=O)OC1=C(C(=O)CCC1)C1(O)C(=O)C2=CC=CC=C2C1=O
InChIKey
InChIKey=VCDPGMRFIZDYCC-UHFFFAOYSA-N
Formula
C22H18O7S
Mass
426.44
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Indanes
-
Subclass
Indanones
- Level 5 Indanediones
-
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
p-Methylbenzenesulfonates Benzenesulfonate esters Tosyl compounds Benzenesulfonyl compounds Arylsulfonic acids and derivatives Aryl alkyl ketones Cyclohexenones Organosulfonic acid esters Acyloins Tertiary alcohols Sulfonyls Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Indanedione - Benzenesulfonate ester - P-methylbenzenesulfonate - Tosyl compound - Benzenesulfonate - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Aryl alkyl ketone - Aryl ketone - Cyclohexenone - Toluene - Acyloin - Monocyclic benzene moiety - Organosulfonic acid ester - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Tertiary alcohol - Sulfonyl - Ketone - Cyclic ketone - Organosulfur compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxygen compound - Alcohol - Organic oxide - Aromatic homopolycyclic 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