Compound Identification
SMILES
[Li+].CC\C(=C\C1=[N+](CCCS([O-])(=O)=O)C2CC(C)=CC=C2O1)\C=C1\OC2=C(C=C(C=C2)C2=CC=CC=C2)N1CCCS([O-])(=O)=O
InChIKey
InChIKey=AMSZRVPXRKLMIV-UHFFFAOYSA-M
Formula
C32H35LiN2O8S2
Mass
646.7
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Benzoxazolines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzoxazolines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Benzoxazolines
Alternative Parents
Benzene and substituted derivatives Sulfonyls Oxazolines Organosulfonic acids Alkanesulfonic acids Tertiary amines Ketene acetals Imidoesters Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Organic lithium salts Azacyclic compounds Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoxazoline - Monocyclic benzene moiety - Benzenoid - Oxazoline - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Alkanesulfonic acid - Imido ester - Ketene acetal or derivatives - Tertiary amine - Organic lithium salt - Oxacycle - Azacycle - Organic alkali metal salt - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Organic salt - Amine - Organic oxide - Organic cation - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzoxazolines. These are organic compounds containing a benzene ring fused to an oxazoline ring. Oxazoline is five-membered unsaturated ring with a nitrogen atom and an oxygen atom at the 1- and 3-position, respectively. Additionally, it contains two double bonds.
External Descriptors
Not available