Compound Identification
SMILES
COC1C2SCC(OS(=O)(=O)C3=CC=C(C)C=C3)=C(N2C1=O)C(=O)OC
InChIKey
InChIKey=OSCIXOURLLWUTE-UHFFFAOYSA-N
Formula
C16H17NO7S2
Mass
399.43
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 Alpha amino acids and derivatives Arylsulfonic acids and derivatives Benzenesulfonyl compounds Cephems 1,3-thiazines Organosulfonic acid esters Methyl esters Enoate esters Sulfonyls Tertiary carboxylic acid amides Azetidines Monocarboxylic acids and derivatives Dialkylthioethers Dialkyl ethers Thiohemiaminal derivatives Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzenesulfonate ester - P-methylbenzenesulfonate - Alpha-amino acid or derivatives - Tosyl compound - Arylsulfonic acid or derivatives - Cephem - Benzenesulfonyl group - Toluene - Meta-thiazine - Organosulfonic acid ester - Enoate ester - Methyl ester - Alpha,beta-unsaturated carboxylic ester - Beta-lactam - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Tertiary carboxylic acid amide - Azetidine - Carboxamide group - Carboxylic acid ester - Lactam - Thioether - Hemithioaminal - Dialkylthioether - Monocarboxylic acid or derivatives - Azacycle - Ether - Dialkyl ether - Organoheterocyclic compound - Carboxylic acid derivative - Organosulfur compound - Organic oxide - Carbonyl group - Organic oxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic 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