Compound Identification
SMILES
O.[O-]C(=O)C1=CC=C([Hg])C=C1.OC(=O)C1=C(C=CC(SSC2=CC(C(O)=O)=C(C=C2)[N+]([O-])=O)=C1)[N+]([O-])=O
InChIKey
InChIKey=JHBCZAVUIAYENT-UHFFFAOYSA-M
Formula
C21H14HgN2O11S2
Mass
735.06
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
4-Mercuribenzoic acids M-sulfanylbenzoic acids Nitrobenzenes Benzoyl derivatives Nitroaromatic compounds Aryl mercury compounds Metal aryls Carboxylic acid salts Organic disulfides Sulfenyl compounds Organic transition metal salts Carboxylic acids Organic oxoazanium compounds Organonitrogen compounds Hydrocarbon derivatives Organooxygen compounds Organic oxides Organic cations
Molecular Framework
Not available
Substituents
Nitrobenzoate - M-sulfanylbenzoic acid - M-sulfanylbenzoic acid or derivatives - 4-mercuribenzoic acid - Mercuribenzoic acid - Benzoic acid - Nitrobenzene - Nitroaromatic compound - Benzoyl - Metal aryl - Aryl mercury compound - Carboxylic acid salt - C-nitro compound - Organic nitro compound - Organic disulfide - Sulfenyl compound - Carboxylic acid - Organic transition metal salt - Carboxylic acid derivative - Organic oxoazanium - Organic salt - Organooxygen compound - Organic transition metal moeity - Organomercurial-compound - Organometallic compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organosulfur 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