Compound Identification
SMILES
OC(=O)C1=CC(=CC(SSC2=CC(=CC(=C2)[N+]([O-])=O)C([O-])=O)=C1)[N+]([O-])=O
InChIKey
InChIKey=OMDHYUQGKRVVBA-UHFFFAOYSA-M
Formula
C14H7N2O8S2
Mass
395.34
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
M-sulfanylbenzoic acids Benzoic acids Nitrobenzenes Benzoyl derivatives Nitroaromatic compounds Carboxylic acid salts Organic disulfides Sulfenyl compounds Organic oxoazanium compounds Carboxylic acids Organooxygen compounds Hydrocarbon derivatives Organic oxides Organic salts Organonitrogen compounds Organic cations
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Nitrobenzoate - M-sulfanylbenzoic acid - M-sulfanylbenzoic acid or derivatives - Benzoic acid - Nitrobenzene - Nitroaromatic compound - Benzoyl - Carboxylic acid salt - Organic nitro compound - C-nitro compound - Organic disulfide - Carboxylic acid derivative - Carboxylic acid - Sulfenyl compound - Organic oxoazanium - Organic oxygen compound - Organic salt - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic cation - 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