Compound Identification
SMILES
CC\C(=C/C1=[N+](CCCS(O)(=O)=O)C2=C(O1)C=CC(=C2)C1=CSC=C1)\C=C1/OC2=C(C=C(Cl)C=C2)N1CCCS(O)(=O)=O
InChIKey
InChIKey=ZNPPVKXIARQOAG-UHFFFAOYSA-O
Formula
C29H30ClN2O8S3
Mass
666.19
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
Benzoxazoles Aryl chlorides Benzenoids Alkanesulfonic acids Thiophenes Sulfonyls Oxazoles Heteroaromatic compounds Organosulfonic acids Ketene acetals Azacyclic compounds Oxacyclic compounds Hydrocarbon derivatives Amines Organic oxides Organochlorides Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoxazole - Benzoxazoline - Aryl chloride - Aryl halide - Benzenoid - Azole - Oxazole - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Thiophene - Alkanesulfonic acid - Heteroaromatic compound - Ketene acetal or derivatives - Azacycle - Oxacycle - Organic nitrogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organic oxygen compound - Amine - Organic oxide - Hydrocarbon derivative - Organohalogen compound - 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