Compound Identification
SMILES
OS(=O)(=O)CCC[N+]1=C(SC2=C1C=C(Cl)C=C2)C=C1OC2=C(C=C(C=C2)C2=CC=CC=C2)[N+]11CC1S(O)(=O)=O
InChIKey
InChIKey=IXFXWYLRQJMSMR-UHFFFAOYSA-P
Formula
C26H23ClN2O7S3
Mass
607.11
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
Benzothiazoles Aryl chlorides Benzene and substituted derivatives Alkanesulfonic acids Thiazoles Sulfonyls Heteroaromatic compounds N-vinylaziridines Organosulfonic acids Ketene acetals Oxacyclic compounds Azacyclic compounds Hydrocarbon derivatives Organic oxides Organochlorides Organonitrogen compounds Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1,3-benzothiazole - Benzoxazoline - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Azole - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Thiazole - Alkanesulfonic acid - Vinylaziridine - N-vinylaziridine - Ketene acetal or derivatives - Aziridine - Oxacycle - Azacycle - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - 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