Compound Identification
SMILES
CCCCCCCCN(CCCCCCCC)C(=O)C1=CC(N=C(O)C2=C(F)C(=CC=C2)C(O)=NC2=C(F)C(=CC(C)=C2)N=C(O)C2=CC(=CC(C(O)=NC3=CC(C)=CC(N=C(O)C4=CC=CC(C(O)=NC5=C(F)C=CC(=C5)C(=O)N(CCCCCCCC)CCCCCCCC)=C4F)=C3F)=C2F)N=C(O)C2=CC(=CC=C2)C(O)=NC2=CC(C(O)=NC3=CC(C)=CC(N=C(O)C4=CC=CC(C(O)=NC5=C(F)C=CC(=C5)C(=O)N(CCCCCCCC)CCCCCCCC)=C4F)=C3F)=C(F)C(=C2)C(O)=NC2=CC(C)=CC(N=C(O)C3=CC=CC(C(O)=NC4=C(F)C=CC(=C4)C(=O)N(CCCCCCCC)CCCCCCCC)=C3F)=C2F)=C(F)C=C1
InChIKey
InChIKey=PATXTTJZNYRACQ-UHFFFAOYSA-N
Formula
C176H202F14N18O18
Mass
3123.638
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Benzoic acids and derivatives
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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
Benzamides Benzoyl derivatives Toluenes Fluorobenzenes Aryl fluorides Tertiary carboxylic acid amides Propargyl-type 1,3-dipolar organic compounds Carboximidic acids Organooxygen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
4-halobenzoic acid or derivatives - Benzamide - Benzoyl - Fluorobenzene - Toluene - Halobenzene - Aryl fluoride - Aryl halide - Tertiary carboxylic acid amide - Carboxamide group - Carboximidic acid - Carboximidic acid derivative - Organic 1,3-dipolar compound - Carboxylic acid derivative - Propargyl-type 1,3-dipolar organic compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Aromatic homomonocyclic 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