Compound Identification
SMILES
OCCS(=O)(=O)C1=C(C=CC(=C1)C(O)=O)[N+]([O-])=O
InChIKey
InChIKey=CBPMMURCSQZCNG-UHFFFAOYSA-N
Formula
C9H9NO7S
Mass
275.23
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Benzoic acids and derivatives
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Nitrobenzoic acids and derivatives
Alternative Parents
Nitrobenzenes Benzoic acids Benzenesulfonyl compounds Nitroaromatic compounds Benzoyl derivatives Sulfones Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Carboxylic acids Primary alcohols Organonitrogen compounds Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Nitrobenzoate - Benzoic acid - Nitrobenzene - Benzenesulfonyl group - Nitroaromatic compound - Benzoyl - Sulfone - Sulfonyl - Organic nitro compound - C-nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Carboxylic acid - Organic oxoazanium - Organic zwitterion - Organooxygen compound - Organonitrogen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Primary alcohol - Alcohol - Organic oxygen compound - Organic nitrogen compound - Organic salt - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as nitrobenzoic acids and derivatives. These are compounds containing a nitrobenzoic acid moiety, which consists of a benzene ring bearing both a carboxylic acid group and a nitro group on two different ring carbon atoms.
External Descriptors
Not available