Compound Identification
SMILES
CC1=C(C(NC(=O)N1CCCC(O)=O)C1=CC=CC=C1OS(=O)(=O)C1=CC=CC=C1[N+]([O-])=O)C(=O)OCC1=CC=CC=C1
InChIKey
InChIKey=GJVAJSSNSJNKNN-UHFFFAOYSA-N
Formula
C29H27N3O10S
Mass
609.61
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
Benzyloxycarbonyls Arylsulfonic acids and derivatives Benzenesulfonyl compounds Nitrobenzenes Nitroaromatic compounds Phenoxy compounds Pyrimidones Dicarboxylic acids and derivatives Hydropyrimidines Organosulfonic acid esters Enoate esters Vinylogous amides Sulfonyls Ureas Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Carboxylic acids Organic oxoazanium compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic salts Organonitrogen compounds Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzenesulfonate ester - Benzyloxycarbonyl - Nitrobenzene - Benzenesulfonyl group - Arylsulfonic acid or derivatives - Phenoxy compound - Nitroaromatic compound - Pyrimidone - Hydropyrimidine - 1,2,3,4-tetrahydropyrimidine - Pyrimidine - Organosulfonic acid ester - Dicarboxylic acid or derivatives - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Sulfonyl - Vinylogous amide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Carboxylic acid ester - C-nitro compound - Organic nitro compound - Urea - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Carboxylic acid - Azacycle - Organic oxoazanium - Organoheterocyclic compound - Organic 1,3-dipolar compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic salt - Organic oxide - 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