Compound Identification
SMILES
CC(C)(C)C1=CC=C(OS(=O)(=O)C2=CC=CC(=C2)S(=O)(=O)C2=CC=CC=C2NNC2=C3C(=O)C=C(C=C3C=CC2=N)S(O)(=O)=O)C=C1
InChIKey
InChIKey=JDIZFXBKPVCARX-UHFFFAOYSA-N
Formula
C32H29N3O9S3
Mass
695.78
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
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Class
Benzene and substituted derivatives
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Subclass
Benzenesulfonic acids and derivatives
- Level 5 Benzenesulfonate esters
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Subclass
Benzenesulfonic acids and derivatives
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzenesulfonic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Benzenesulfonate esters
Alternative Parents
Phenylpropanes Benzenesulfonyl compounds Arylsulfonic acids and derivatives Phenylhydrazines Phenoxy compounds Organosulfonic acid esters Vinylogous amides Sulfones Organosulfonic acids Ketones Ketimines Organic oxides Hydrocarbon derivatives Hydrazines and derivatives
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Benzenesulfonate ester - Arylsulfonic acid or derivatives - Phenylpropane - Benzenesulfonyl group - Phenoxy compound - Phenylhydrazine - Organosulfonic acid ester - Sulfone - Vinylogous amide - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Ketimine - Ketone - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Imine - Hydrazine derivative - Carbonyl group - Organic oxide - Hydrocarbon derivative - Aromatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzenesulfonate esters. These are arenesulfonate esters that result from the formal condensation of the hydroxy group of an alcohol, enol, phenol or heteroarenol with benzenesulfonic acid.
External Descriptors
Not available