Structure Information
Structure

Compound Identification

SMILES

CC1=C(C=CC=C1N=C=O)N=C=O.CCCCCC[C@@H](O)C\C=C/CCCCCCCC(=O)OCC(CO)(CO)CO

InChIKey

InChIKey=ACXHSNCMNQASSP-LBMPBKNQSA-N

Formula

C32H50N2O8

Mass

590.758

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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 - Fatty alcohol - Fatty acid ester - Fatty acyl - Carboxylic acid ester - Isocyanate - Secondary alcohol - Propargyl-type 1,3-dipolar organic compound - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic 1,3-dipolar compound - Carbonyl group - Primary alcohol - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Alcohol - Organic oxide - 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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