Compound Identification
SMILES
CCOC1(OOC11C2CC3CC(C2)CC1C3)C1=CC(SSC2=C(C=C(C=C2)[N+]([O-])=O)[N+]([O-])=O)=CC=C1
InChIKey
InChIKey=FIDINSOFPKYGRF-UHFFFAOYSA-N
Formula
C25H26N2O7S2
Mass
530.61
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
Benzylethers Nitroaromatic compounds Organic disulfides 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 - Nitroaromatic compound - 1,2-dioxetane - C-nitro compound - Organic disulfide - Organic nitro compound - Dialkyl peroxide - Oxacycle - Organic oxoazanium - Sulfenyl compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic zwitterion - Organic oxide - Hydrocarbon derivative - Organic salt - Organic nitrogen 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