Compound Identification
SMILES
CC1=CC(F)=C(C=C1)C(C1=C(F)C=C(C)C=C1)(C1=C(F)C=C(C)C=C1)C1=C(C=CC(OC2=C(Cl)C(=C(C=C2)[N+]([O-])=O)C(C2=C(F)C=C(C)C=C2)(C2=C(F)C=C(C)C=C2)C2=C(F)C=C(C)C=C2)=C1Cl)[N+]([O-])=O
InChIKey
InChIKey=ABFYPAFWLCMEFB-UHFFFAOYSA-N
Formula
C56H40Cl2F6N2O5
Mass
1005.84
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
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Class
Prenol lipids
- Subclass Sesquiterpenoids
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Class
Prenol lipids
-
Superclass
Lipids and lipid-like molecules
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Prenol lipids
Subclass
Sesquiterpenoids
Intermediate Tree Nodes
Not available
Direct Parent
Sesquiterpenoids
Alternative Parents
Diphenylethers Diarylethers Nitrobenzenes Phenoxy compounds Phenol ethers Nitroaromatic compounds Toluenes Chlorobenzenes Fluorobenzenes Aryl chlorides Aryl fluorides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organonitrogen compounds Hydrocarbon derivatives Organic oxides Organic salts Organochlorides Organofluorides Organic cations
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Sesquiterpenoid - Bisabolane sesquiterpenoid - Diphenylether - Diaryl ether - Nitrobenzene - Phenoxy compound - Nitroaromatic compound - Phenol ether - Chlorobenzene - Fluorobenzene - Halobenzene - Toluene - Benzenoid - Aryl halide - Monocyclic benzene moiety - Aryl chloride - Aryl fluoride - Organic nitro compound - C-nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Ether - Organic oxoazanium - Organic salt - Hydrocarbon derivative - Organic oxygen compound - Organohalogen compound - Organochloride - Organofluoride - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Organic oxide - Organic cation - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units.
External Descriptors
Not available