Compound Identification
SMILES
COC1(OOC11C2CC3CC(C2)CC1C3)C1=CC(OSC2=C(C=C(C=C2)[N+]([O-])=O)[N+]([O-])=O)=CC=C1
InChIKey
InChIKey=WUSMSOKLTHTAHK-UHFFFAOYSA-N
Formula
C24H24N2O8S
Mass
500.52
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Nitrobenzenes
-
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
Benzylethers Phenoxy compounds Nitroaromatic compounds Organic thioperoxides Dioxetanes Dialkyl peroxides Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Organic oxoazanium compounds Organooxygen compounds Organonitrogen compounds Organic zwitterions Organic salts Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzylether - Nitrobenzene - Phenoxy compound - Nitroaromatic compound - 1,2-dioxetane - C-nitro compound - Organic thioperoxide - Organic nitro compound - Dialkyl peroxide - Organic oxoazanium - Oxacycle - Sulfenyl compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Organic nitrogen compound - Organosulfur compound - Organooxygen compound - Organic oxygen compound - Organic zwitterion - Organic oxide - Hydrocarbon derivative - Organic salt - Organonitrogen compound - Aromatic heteropolycyclic 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