Compound Identification
SMILES
O=C1N(C(=N\C1=C/C1=CC=C(OS(=O)(=O)C2=CC=CC=C2)C=C1)C1=CC=CC=C1)C1=CC=C(C=C1)C1=NN(CNC2=CC=CC=C2)C(=S)O1
InChIKey
InChIKey=YZIRRMISSXXCRV-GIBOGKFOSA-N
Formula
C37H27N5O5S2
Mass
685.77
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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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
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Class
Benzene and substituted derivatives
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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
Alpha amino acids and derivatives Arylsulfonic acids and derivatives Benzenesulfonyl compounds Phenylalkylamines Phenoxy compounds Organosulfonic acid esters Imidazolinones Sulfonyls 1,3,4-oxadiazoles Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Azacyclic compounds Carboxamidines Hydrocarbon derivatives Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzenesulfonate ester - Alpha-amino acid or derivatives - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Phenoxy compound - Phenylalkylamine - Imidazolinone - Organosulfonic acid ester - 1,3,4-oxadiazole - Azole - Heteroaromatic compound - 2-imidazoline - Oxadiazole - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Amidine - Carboxylic acid amidine - Carboxylic acid derivative - Oxacycle - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organic oxide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Carbonyl group - Organic oxygen compound - Aromatic heteromonocyclic 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