Structure Information
Structure

Compound Identification

SMILES

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

InChIKey

InChIKey=JWURNPFBPNJGCJ-UHFFFAOYSA-N

Formula

C20H28N2O8

Mass

424.45

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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 - Acrylic acid ester - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Acrylic acid or derivatives - Carboxylic acid ester - Isocyanate - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic nitrogen compound - Primary alcohol - Organooxygen compound - Organonitrogen compound - Alcohol - Carbonyl group - Organic oxide - Hydrocarbon derivative - 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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