Compound Identification
SMILES
CCCCC1=CC=C(OC(=O)C[S@@](=O)C2=C(C=C(C=C2)S(C)(=O)=O)[N+]([O-])=O)C=C1
InChIKey
InChIKey=XRYRHGHIXUWBIQ-MUUNZHRXSA-N
Formula
C19H21NO7S2
Mass
439.5
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
- Class Phenol esters
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Phenol esters
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Phenol esters
Alternative Parents
Benzenesulfonyl compounds Phenyl sulfoxides Nitrobenzenes Phenoxy compounds Nitroaromatic compounds Sulfones Sulfoxides Carboxylic acid esters Sulfinyl compounds Propargyl-type 1,3-dipolar organic compounds Monocarboxylic acids and derivatives Organic oxoazanium compounds Organonitrogen compounds Carbonyl compounds Organic salts Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Phenol ester - Phenyl sulfoxide - Nitrobenzene - Benzenesulfonyl group - Phenoxy compound - Nitroaromatic compound - Monocyclic benzene moiety - Sulfone - Sulfonyl - Carboxylic acid ester - C-nitro compound - Organic nitro compound - Sulfoxide - Organic 1,3-dipolar compound - Sulfinyl compound - Carboxylic acid derivative - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Monocarboxylic acid or derivatives - Organic oxoazanium - Organic salt - Carbonyl group - Organooxygen compound - Organonitrogen compound - Organosulfur compound - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organic cation - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenol esters. These are aromatic compounds containing a benzene ring substituted by a hydroxyl group and an ester group.
External Descriptors
Not available