Structure Information
Structure

Compound Identification

SMILES

C1CO1.CC1CO1.CC1CNCCN1.CCC(CO)(CO)CO.CC1=C(C=CC=C1N=C=O)N=C=O

InChIKey

InChIKey=CZIDSZOHMKGWGM-UHFFFAOYSA-N

Formula

C25H42N4O7

Mass

510.632

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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 - 1,4-diazinane - Piperazine - Isocyanate - Dialkyl ether - Secondary aliphatic amine - Oxirane - Ether - Secondary amine - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Azacycle - Oxacycle - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Primary alcohol - Alcohol - Amine - Organic nitrogen compound - Organic oxide - Carbonyl group - Organic oxygen compound - Hydrocarbon derivative - Aromatic heteromonocyclic 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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