Compound Identification
SMILES
COC1=C2CC3=CC=CC(CC4=C(OC)C(CC5=CC=CC(CC6=CC(=CC(CC7=C(OCC8=CC(=CC=C8)[N+]([O-])=O)C(CC1=CC(=C2)C(C)(C)C)=CC=C7)=C6OC)C(C)(C)C)=C5OCC1=CC(=CC=C1)[N+]([O-])=O)=CC(=C4)C(C)(C)C)=C3OCC1=CC(=CC=C1)[N+]([O-])=O
InChIKey
InChIKey=MBMPGQUCEHEMIL-UHFFFAOYSA-N
Formula
C78H81N3O12
Mass
1252.515
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Nitrobenzenes
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Nitrobenzenes
Intermediate Tree Nodes
Not available
Direct Parent
Nitrobenzenes
Alternative Parents
Nitroaromatic compounds Anisoles Alkyl aryl ethers Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organonitrogen compounds Organic salts Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Nitrobenzene - Nitroaromatic compound - Anisole - Phenol ether - Alkyl aryl ether - C-nitro compound - Organic nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Ether - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic nitrogen compound - Organic salt - Organic oxygen compound - Organic cation - Aromatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro group.
External Descriptors
Not available