Structure Information
Structure

Compound Identification

SMILES

CCC(CO)(CO)CO.OC(=O)CCCCC(O)=O.CC1=C(C=CC=C1N=C=O)N=C=O

InChIKey

InChIKey=QBXCKQQYNQWYGI-UHFFFAOYSA-N

Formula

C21H30N2O9

Mass

454.476

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Toluenes

Intermediate Tree Nodes

Not available

Direct Parent

Toluene diisocyanates

Alternative Parents

Molecular Framework

Not available

Substituents

Toluene diisocyanate - Medium-chain fatty acid - Dicarboxylic acid or derivatives - Fatty acid - Fatty acyl - Isocyanate - Carboxylic acid derivative - Carboxylic acid - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Primary alcohol - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Alcohol - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Aromatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as toluene diisocyanates. These are organic compounds containing a benzene ring, which is substituted by a methyl group and two isocyanate groups.

External Descriptors

Not available

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