Compound Identification
SMILES
[Na+].CC\C(=C\C1=[N+](CCCS([O-])(=O)=O)C2CC(Cl)=CC=C2O1)\C=C1\OC2=C(C=C(C=C2)C2=CC=CC=C2)N1CCCS([O-])(=O)=O
InChIKey
InChIKey=ASOSKAFNSSMLDX-UHFFFAOYSA-M
Formula
C31H32ClN2NaO8S2
Mass
683.16
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 Alkanesulfonic acids Sulfonyls Oxazolines Organosulfonic acids Imidoesters Ketene acetals Vinyl chlorides Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Chloroalkenes Oxacyclic compounds Organic metal halides Amines Organochlorides Hydrocarbon derivatives Organic oxides Organic sodium salts 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 - Organic metal halide - Oxacycle - Azacycle - Organic alkali metal salt - Vinyl chloride - Vinyl halide - Chloroalkene - Haloalkene - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic nitrogen compound - Hydrocarbon derivative - Organosulfur compound - Organic oxygen compound - Organic sodium salt - Amine - Organic oxide - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organic salt - 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