Compound Identification
SMILES
CCC1=CC(=CC2=C(O)C=CC(=C2)[N+]([O-])=O)C(=O)S1
InChIKey
InChIKey=BONUUNUJQVSEPN-UHFFFAOYSA-N
Formula
C13H11NO4S
Mass
277.29
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Phenols
- Subclass Nitrophenols
-
Class
Phenols
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Phenols
Subclass
Nitrophenols
Intermediate Tree Nodes
Not available
Direct Parent
Nitrophenols
Alternative Parents
Nitrobenzenes Nitroaromatic compounds 1-hydroxy-2-unsubstituted benzenoids Dihydrothiophenes Carbothioic S-lactones Thioesters Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Carboxylic acids and derivatives Organonitrogen compounds Organic salts Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrophenol - Nitrobenzene - Nitroaromatic compound - 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - 2,3-dihydrothiophene - Carbothioic s-lactone - C-nitro compound - Organic nitro compound - Thiocarboxylic acid ester - Carboxylic acid derivative - Organoheterocyclic compound - Organic oxoazanium - Thiocarboxylic acid or derivatives - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organonitrogen compound - Carbonyl group - Organic nitrogen compound - Organooxygen compound - Organic salt - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic cation - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as nitrophenols. These are compounds containing a nitrophenol moiety, which consists of a benzene ring bearing both a hydroxyl group and a nitro group on two different ring carbon atoms.
External Descriptors
Not available