Compound Identification
SMILES
OCCO.CC(O)CO.OCC(O)CO.OC(=O)CCCCC(O)=O.CC1=C(C=CC=C1N=C=O)N=C=O
InChIKey
InChIKey=IEGINNZOFYDEEH-UHFFFAOYSA-N
Formula
C23H38N2O13
Mass
550.558
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
Medium-chain fatty acids Sugar alcohols Dicarboxylic acids and derivatives Secondary alcohols Isocyanates Propargyl-type 1,3-dipolar organic compounds Polyols Carboxylic acids Primary alcohols Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Not available
Substituents
Toluene diisocyanate - Medium-chain fatty acid - Dicarboxylic acid or derivatives - Sugar alcohol - Fatty acid - Fatty acyl - Isocyanate - Secondary alcohol - Carboxylic acid derivative - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid - Polyol - Organic oxide - Primary alcohol - Organooxygen compound - Organonitrogen compound - Alcohol - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - 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