Compound Identification
SMILES
O[C@H](CC(O)=O)[C@@H](O)C(O)=O.CC(C)(C)NC[C@H](O)C1=C(Cl)C=C(O)C=C1
InChIKey
InChIKey=DEJSPRSYMMUZLJ-SGGNETGVSA-N
Formula
C17H26ClNO8
Mass
407.84
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Phenols
-
Subclass
Halophenols
-
Level 5
Chlorophenols
- Level 6 M-chlorophenols
-
Level 5
Chlorophenols
-
Subclass
Halophenols
-
Class
Phenols
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Phenols
Subclass
Halophenols
Intermediate Tree Nodes
Chlorophenols
Direct Parent
M-chlorophenols
Alternative Parents
Short-chain hydroxy acids and derivatives 1-hydroxy-2-unsubstituted benzenoids Aralkylamines Beta hydroxy acids and derivatives Chlorobenzenes Alpha hydroxy acids and derivatives Aryl chlorides Monosaccharides Dicarboxylic acids and derivatives Fatty acids and conjugates 1,2-diols Secondary alcohols 1,2-aminoalcohols Carboxylic acids Dialkylamines Carbonyl compounds Organic oxides Aromatic alcohols Organochlorides Hydrocarbon derivatives
Molecular Framework
Not available
Substituents
3-chlorophenol - Beta-hydroxy acid - 1-hydroxy-2-unsubstituted benzenoid - Chlorobenzene - Halobenzene - Short-chain hydroxy acid - Aralkylamine - Alpha-hydroxy acid - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Hydroxy acid - Monosaccharide - Fatty acid - 1,2-diol - Secondary alcohol - 1,2-aminoalcohol - Secondary amine - Carboxylic acid derivative - Secondary aliphatic amine - Carboxylic acid - Aromatic alcohol - Organic oxygen compound - Amine - Carbonyl group - Organic nitrogen compound - Organic oxide - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Alcohol - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as m-chlorophenols. These are chlorophenols carrying a iodine at the C3 position of the benzene ring.
External Descriptors
Not available