Compound Identification
SMILES
OC(=O)C1=CC=C(Cl)C=C1.CCCCOC1=CC=CC=C1OCC1CCN(CC(O)COC2=CC=CC3=C2CCN3C=O)CC1
InChIKey
InChIKey=VIEXSSZJHMYCIF-UHFFFAOYSA-N
Formula
C35H43ClN2O7
Mass
639.19
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Benzoic acids and derivatives
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Level 5
Halobenzoic acids and derivatives
- Level 6 Halobenzoic acids
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Level 5
Halobenzoic acids 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
Halobenzoic acids and derivatives
Direct Parent
Halobenzoic acids
Alternative Parents
4-halobenzoic acids Benzoic acids Indoles and derivatives Benzoyl derivatives Phenoxy compounds Phenol ethers Alkyl aryl ethers Chlorobenzenes Piperidines Aryl chlorides Tertiary carboxylic acid amides Trialkylamines Secondary alcohols Amino acids and derivatives 1,2-aminoalcohols Carboxylic acids Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organochlorides
Molecular Framework
Not available
Substituents
4-halobenzoic acid or derivatives - 4-halobenzoic acid - Halobenzoic acid - Benzoic acid - Indole or derivatives - Benzoyl - Phenoxy compound - Phenol ether - Chlorobenzene - Halobenzene - Alkyl aryl ether - Aryl chloride - Aryl halide - Piperidine - Tertiary carboxylic acid amide - Tertiary aliphatic amine - Tertiary amine - Secondary alcohol - Amino acid or derivatives - 1,2-aminoalcohol - Carboxamide group - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Ether - Alcohol - Carbonyl group - Organohalogen compound - Organic nitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organonitrogen compound - Amine - Organic oxide - Organochloride - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as halobenzoic acids. These are benzoic acids carrying a halogen atom on the benzene ring.
External Descriptors
Not available