Compound Identification
SMILES
OC(=O)CCCOC1=C(I)C=C(I)C(C(=O)N2CCOCC2)=C1I
InChIKey
InChIKey=AWPDPEBRIXSCQG-UHFFFAOYSA-N
Formula
C15H16I3NO5
Mass
671.008
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
Halobenzoic acids and derivatives
Direct Parent
4-halobenzoic acids and derivatives
Alternative Parents
2-halobenzoic acids and derivatives Benzamides Morpholine carboxylic acids and derivatives Phenoxy compounds Phenol ethers Benzoyl derivatives Alkyl aryl ethers Iodobenzenes Aryl iodides Vinylogous halides Tertiary carboxylic acid amides Oxacyclic compounds Azacyclic compounds Carboxylic acids Dialkyl ethers Monocarboxylic acids and derivatives Organic oxides Carbonyl compounds Organonitrogen compounds Organopnictogen compounds Hydrocarbon derivatives Organoiodides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-halobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - Morpholine-4-carboxylic acid or derivatives - Benzamide - Phenoxy compound - Phenol ether - Benzoyl - Alkyl aryl ether - Iodobenzene - Halobenzene - Aryl iodide - Aryl halide - Morpholine - Oxazinane - Tertiary carboxylic acid amide - Vinylogous halide - Carboxamide group - Oxacycle - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Ether - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organopnictogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organohalogen compound - Organoiodide - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as 4-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 4-position of the benzene ring.
External Descriptors
Not available