Compound Identification
SMILES
CCCCCCCC1=NN2C(S1)=NC(=O)C(=CC1=CC(OCC)=C(OS(=O)(=O)C3=CC=CC=C3[N+]([O-])=O)C=C1)C2=N
InChIKey
InChIKey=RVFXNLHHNUBQAD-UHFFFAOYSA-N
Formula
C27H29N5O7S2
Mass
599.68
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
Arylsulfonic acids and derivatives Benzenesulfonyl compounds Nitrobenzenes Nitroaromatic compounds Phenol ethers Phenoxy compounds Alkyl aryl ethers Pyrimidones Organosulfonic acid esters Hydropyrimidines Imidolactams Thiadiazolines Sulfonyls N-acylimines Organic oxoazanium compounds Carboxylic acids and derivatives Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Amidines Organic salts Hydrocarbon derivatives Carbonyl compounds Organic oxides Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzenesulfonate ester - Arylsulfonic acid or derivatives - Nitrobenzene - Benzenesulfonyl group - Phenoxy compound - Nitroaromatic compound - Phenol ether - Alkyl aryl ether - Pyrimidone - Hydropyrimidine - 1,4,5,6-tetrahydropyrimidine - Pyrimidine - Organosulfonic acid ester - Imidolactam - Organic sulfonic acid or derivatives - Thiadiazoline - Sulfonyl - Organosulfonic acid or derivatives - Organic nitro compound - C-nitro compound - N-acylimine - Propargyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Organic 1,3-dipolar compound - Carboxylic acid derivative - Ether - Amidine - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Azacycle - Organic oxide - Carbonyl group - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic salt - Organic oxygen compound - Organic cation - 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