Compound Identification
SMILES
COC(=O)C1=C(C(OC)=C(C)C(SC2=C(C)C=CC(C(O)=O)=C2[N+]([O-])=O)=C1[N+]([O-])=O)[N+]([O-])=O
InChIKey
InChIKey=ZQLTXXMEHOGJHB-UHFFFAOYSA-N
Formula
C18H15N3O11S
Mass
481.39
Taxonomic Classification
Taxonomy Tree
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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
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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 M-methoxybenzoic acids and derivatives Nitrophenyl ethers Benzoic acid esters M-sulfanylbenzoic acids Benzoic acids Methoxyanilines Thiophenol ethers Anisoles Phenoxy compounds Benzoyl derivatives Nitroaromatic compounds Methoxybenzenes Alkyl aryl ethers Methyl esters Carboxylic acids Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Sulfenyl compounds Hydrocarbon derivatives Organic oxides Organic salts Organonitrogen compounds Organic cations
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Dinitrotoluene - Nitrobenzoate - M-methoxybenzoic acid or derivatives - Nitrophenyl ether - Diarylthioether - Benzoate ester - M-sulfanylbenzoic acid - M-sulfanylbenzoic acid or derivatives - Benzoic acid or derivatives - Benzoic acid - Nitrobenzene - Methoxyaniline - Methoxybenzene - Anisole - Benzoyl - Phenoxy compound - Thiophenol ether - Aryl thioether - Phenol ether - Nitroaromatic compound - Alkyl aryl ether - Methyl ester - Organic nitro compound - Carboxylic acid ester - C-nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Carboxylic acid - Ether - Sulfenyl compound - Thioether - Organic oxoazanium - Organic nitrogen compound - Organic oxide - Organic salt - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organic oxygen compound - Organonitrogen 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