Compound Identification
SMILES
NC1=C(I)C(C(O)=O)=C(I)C(=C1)C(O)=O
InChIKey
InChIKey=FTTBAXUYZBCOQR-UHFFFAOYSA-N
Formula
C8H5I2NO4
Mass
432.94
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Benzoic acids and derivatives
-
Level 5
Phthalic acid and derivatives
- Level 6 M-phthalic acid and derivatives
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Level 5
Phthalic acid and 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
Phthalic acid and derivatives
Direct Parent
M-phthalic acid and derivatives
Alternative Parents
Halobenzoic acids Aminobenzoic acids 4-halobenzoic acids 2-halobenzoic acids Benzoic acids Benzoyl derivatives Aniline and substituted anilines 1-carboxy-2-haloaromatic compounds Iodobenzenes Dicarboxylic acids and derivatives Aryl iodides Vinylogous halides Amino acids Primary amines Organopnictogen compounds Organooxygen compounds Organoiodides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Meta_phthalic_acid - Halobenzoic acid - 4-halobenzoic acid - 2-halobenzoic acid - Halobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - 2-halobenzoic acid or derivatives - Aminobenzoic acid or derivatives - Aminobenzoic acid - Benzoic acid - Aniline or substituted anilines - 1-carboxy-2-haloaromatic compound - Benzoyl - Iodobenzene - Halobenzene - Dicarboxylic acid or derivatives - Aryl iodide - Aryl halide - Vinylogous halide - Amino acid - Amino acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Organoiodide - Organohalogen compound - Amine - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as m-phthalic acid and derivatives. These are aromatic compounds containing a benzene ring bearing a carboxylic acid group at ring carbon atoms 1 and 2.
External Descriptors
Not available