Compound Identification
SMILES
COC(=O)C1=CC(=CC(NS(=O)(=O)C2=CC=C(I)C=C2)=C1)C(=O)OC
InChIKey
InChIKey=XPZAQLQVLBOFSS-UHFFFAOYSA-N
Formula
C16H14INO6S
Mass
475.25
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
Phthalate esters
- Level 7 m-Phthalate esters
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Level 6
Phthalate esters
-
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 - Phthalate esters
Direct Parent
m-Phthalate esters
Alternative Parents
M-phthalic acid and derivatives Benzenesulfonamides Benzoic acid esters Sulfanilides Benzenesulfonyl compounds Benzoyl derivatives Iodobenzenes Dicarboxylic acids and derivatives Aryl iodides Organosulfonamides Methyl esters Aminosulfonyl compounds Organonitrogen compounds Organoiodides Organic oxides Hydrocarbon derivatives Organooxygen compounds Organopnictogen compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Meta-phthalic acid ester - Meta_phthalic_acid - Sulfanilide - Benzenesulfonamide - Benzoate ester - Benzenesulfonyl group - Benzoyl - Halobenzene - Iodobenzene - Aryl halide - Organosulfonic acid amide - Aryl iodide - Dicarboxylic acid or derivatives - Methyl ester - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Carboxylic acid ester - Carboxylic acid derivative - Organoiodide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organohalogen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as m-phthalate esters. These are ester derivatives of m-phthalic acids, which are based on a benzene 1,3-dicarboxylic acid skeleton.
External Descriptors
Not available