Compound Identification
SMILES
CC1CO1.CC(O)CO.CC1=C(C=C(C=C1)N=C=O)N=C=O
InChIKey
InChIKey=GYKNCHRTWADHLR-UHFFFAOYSA-N
Formula
C15H20N2O5
Mass
308.334
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Toluenes
- Level 5 Toluene diisocyanates
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Subclass
Toluenes
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Toluenes
Intermediate Tree Nodes
Not available
Direct Parent
Toluene diisocyanates
Alternative Parents
Secondary alcohols Isocyanates 1,2-diols Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Epoxides Dialkyl ethers Primary alcohols Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Not available
Substituents
Toluene diisocyanate - 1,2-diol - Isocyanate - Secondary alcohol - Dialkyl ether - Oxirane - Ether - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Oxacycle - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Primary alcohol - Organic oxide - Carbonyl group - Organic nitrogen compound - Alcohol - 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