Compound Identification
SMILES
COC(=O)CC1C[N+]2=C(OC3=C2C=C(C=C3)S(O)(=O)=O)C=C2OC3=C(C=C(C=C3)S(O)(=O)=O)N12
InChIKey
InChIKey=DDNRSCLHXMFSTN-UHFFFAOYSA-O
Formula
C20H17N2O10S2
Mass
509.48
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
1-sulfo,2-unsubstituted aromatic compounds Benzoxazoles Benzenoids Sulfonyls Oxazoles Organosulfonic acids Heteroaromatic compounds Methyl esters Ketene acetals Monocarboxylic acids and derivatives Azacyclic compounds Oxacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Amines Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Arylsulfonic acid or derivatives - Benzoxazole - Benzoxazoline - 1-sulfo,2-unsubstituted aromatic compound - Benzenoid - Azole - Oxazole - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Methyl ester - Heteroaromatic compound - Carboxylic acid ester - Ketene acetal or derivatives - Oxacycle - Azacycle - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Amine - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - 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