Compound Identification
SMILES
CC1=CC(NC2=NC(=O)C(S2)=CC2=CC(=CC(=C2O)[N+]([O-])=O)[N+]([O-])=O)=CC(C)=C1
InChIKey
InChIKey=VOYVRBLQRGXMLV-UHFFFAOYSA-N
Formula
C18H14N4O6S
Mass
414.39
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Phenols
-
Subclass
Nitrophenols
- Level 5 Dinitrophenols
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Subclass
Nitrophenols
-
Class
Phenols
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Phenols
Subclass
Nitrophenols
Intermediate Tree Nodes
Not available
Direct Parent
Dinitrophenols
Alternative Parents
Nitrobenzenes m-Xylenes Aniline and substituted anilines Nitroaromatic compounds Thiazolines Isothioureas N-acylimines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Carboxylic acids and derivatives Organic oxoazanium compounds Hydrocarbon derivatives Amines Organic zwitterions Organic salts Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Dinitrophenol - Nitrobenzene - Nitroaromatic compound - M-xylene - Xylene - Aniline or substituted anilines - Monocyclic benzene moiety - Meta-thiazoline - Isothiourea - C-nitro compound - Organic nitro compound - N-acylimine - Carboxylic acid derivative - Organic oxoazanium - Azacycle - Organoheterocyclic compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Organic zwitterion - Amine - Organic oxygen compound - Organic oxide - Organic salt - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as dinitrophenols. These are organic aromatic compounds containing a benzene that carries a single phenol group and exactly two nitro groups.
External Descriptors
Not available