Compound Identification
SMILES
CC1=C(C=C(C=C1[N+]([O-])=O)C(=O)OC1=CC=CC(=C1)C(=S)N1CCOCC1)[N+]([O-])=O
InChIKey
InChIKey=CGOPXBZJVUGHRM-UHFFFAOYSA-N
Formula
C19H17N3O7S
Mass
431.42
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
- Class Depsides and depsidones
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Depsides and depsidones
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Depsides and depsidones
Alternative Parents
Dinitrotoluenes Nitrobenzoic acids and derivatives Benzoic acid esters Phenol esters Nitrobenzenes Benzoyl derivatives Phenoxy compounds Nitroaromatic compounds Morpholines Thioamides Carboxylic acid esters Azacyclic compounds Thiocarboxylic acid amides Propargyl-type 1,3-dipolar organic compounds Dialkyl ethers Oxacyclic compounds Organic oxoazanium compounds Hydrocarbon derivatives Organonitrogen compounds Organic zwitterions Organic salts Thiocarbonyl compounds Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Depside backbone - Dinitrotoluene - Nitrobenzoate - Benzoate ester - Phenol ester - Benzoic acid or derivatives - Nitrobenzene - Nitrotoluene - Phenoxy compound - Nitroaromatic compound - Benzoyl - Toluene - Monocyclic benzene moiety - Morpholine - Oxazinane - Benzenoid - Thioamide - Carboxylic acid ester - C-nitro compound - Organic nitro compound - Organoheterocyclic compound - Thiocarboxylic acid amide - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Dialkyl ether - Ether - Organic 1,3-dipolar compound - Oxacycle - Azacycle - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Organic salt - Hydrocarbon derivative - Organic oxide - Organic zwitterion - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Organic oxygen compound - Thiocarbonyl group - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as depsides and depsidones. These are polycyclic compounds that is either a polyphenolic compound composed of two or more monocyclic aromatic units linked by an ester bond (depside), or a compound containing the depsidone structure (depsidone).
External Descriptors
Not available