Compound Identification
SMILES
COC1=CC(C=CC2=NC=C(N2CCOS(=O)(=O)C2=CC=C(C)C=C2)[N+]([O-])=O)=CC(OC)=C1OC
InChIKey
InChIKey=FETOSXYSJJVOKZ-UHFFFAOYSA-N
Formula
C23H25N3O8S
Mass
503.53
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
-
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
p-Methylbenzenesulfonates Tosyl compounds Arylsulfonic acids and derivatives Benzenesulfonyl compounds 1,2,5-trisubstituted imidazoles Styrenes Phenoxy compounds Anisoles Methoxybenzenes Nitroimidazoles Nitroaromatic compounds Alkyl aryl ethers Organosulfonic acid esters N-substituted imidazoles Sulfonyls Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Hydrocarbon derivatives Organic salts Organonitrogen compounds Organic oxides Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
P-methylbenzenesulfonate - Benzenesulfonate ester - Tosyl compound - Arylsulfonic acid or derivatives - Benzenesulfonyl group - 1,2,5-trisubstituted-imidazole - Anisole - Nitroimidazole - Phenol ether - Styrene - Trisubstituted imidazole - Phenoxy compound - Nitroaromatic compound - Methoxybenzene - Alkyl aryl ether - Toluene - N-substituted imidazole - Organosulfonic acid ester - Heteroaromatic compound - Imidazole - Azole - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Organic nitro compound - C-nitro compound - Organic 1,3-dipolar compound - Azacycle - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Ether - Organic oxoazanium - Organic salt - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Organic cation - 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