Compound Identification
SMILES
COC(=O)[C@@H]1C2CCC(C[C@@H]1OC(=O)C1=C(O)C=C(I)C=C1)N2C
InChIKey
InChIKey=QYYWMLHRGDGTBW-TVSZOZCSSA-N
Formula
C17H20INO5
Mass
445.253
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
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Class
Benzene and substituted derivatives
-
Subclass
Benzoic acids and derivatives
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Level 5
Benzoic acid esters
- Level 6 o-Hydroxybenzoic acid esters
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Level 5
Benzoic acid esters
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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
Benzoic acid esters
Direct Parent
o-Hydroxybenzoic acid esters
Alternative Parents
Salicylic acid and derivatives 4-halobenzoic acids and derivatives Tropane alkaloids Piperidinecarboxylic acids M-iodophenols Benzoyl derivatives 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Iodobenzenes N-alkylpyrrolidines Dicarboxylic acids and derivatives Aryl iodides Vinylogous acids Methyl esters Trialkylamines Amino acids and derivatives Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organoiodides Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
O-hydroxybenzoic acid ester - Salicylic acid or derivatives - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Piperidinecarboxylic acid - Tropane alkaloid - Benzoyl - 3-halophenol - 3-iodophenol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Halobenzene - Iodobenzene - Phenol - Aryl halide - Aryl iodide - Dicarboxylic acid or derivatives - Piperidine - N-alkylpyrrolidine - Pyrrolidine - Methyl ester - Vinylogous acid - Amino acid or derivatives - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid ester - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Amine - Organopnictogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organic nitrogen compound - Organohalogen compound - Organoiodide - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as o-hydroxybenzoic acid esters. These are benzoic acid esters where the benzene ring is ortho-substituted with a hydroxy group.
External Descriptors
Not available