Compound Identification
SMILES
CC1=C(SC2=C(C(C(=O)OCC3=CC=CC=C3)=C(C(OCC3=CC=CC=C3)=C2C)[N+]([O-])=O)[N+]([O-])=O)C(=C(C=C1)C(O)=O)[N+]([O-])=O
InChIKey
InChIKey=GHUPVIULSDMKLZ-UHFFFAOYSA-N
Formula
C30H23N3O11S
Mass
633.58
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Benzene and substituted derivatives
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Subclass
Toluenes
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Level 5
Nitrotoluenes
- Level 6 Dinitrotoluenes
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Level 5
Nitrotoluenes
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Subclass
Toluenes
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Toluenes
Intermediate Tree Nodes
Nitrotoluenes
Direct Parent
Dinitrotoluenes
Alternative Parents
Nitrobenzoic acids and derivatives Diarylthioethers Nitrophenyl ethers Benzoic acid esters Benzyloxycarbonyls M-sulfanylbenzoic acids Benzoic acids Thiophenol ethers Phenoxy compounds Phenol ethers Benzoyl derivatives Nitroaromatic compounds Alkyl aryl ethers Carboxylic acid esters Carboxylic acids Sulfenyl compounds Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Hydrocarbon derivatives Organic oxides Organic salts Organonitrogen compounds Organic cations
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Dinitrotoluene - Nitrobenzoate - Nitrophenyl ether - Diarylthioether - Benzoate ester - Benzyloxycarbonyl - M-sulfanylbenzoic acid - M-sulfanylbenzoic acid or derivatives - Benzoic acid or derivatives - Benzoic acid - Nitrobenzene - Phenoxy compound - Aryl thioether - Benzoyl - Nitroaromatic compound - Phenol ether - Thiophenol ether - Alkyl aryl ether - Carboxylic acid ester - 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 - Sulfenyl compound - Carboxylic acid derivative - Thioether - Carboxylic acid - Ether - Organic oxoazanium - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organic salt - Organonitrogen compound - Organooxygen compound - Organic cation - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as dinitrotoluenes. These are organic aromatic compounds containing a benzene that carries a single methyl group and exactly two nitro groups.
External Descriptors
Not available