Compound Identification
SMILES
OC(=O)CC(SC1=NC2=C(O1)C=CC(=C2)C(O)=O)C(O)=O
InChIKey
InChIKey=DDTXISDGDYCNNH-UHFFFAOYSA-N
Formula
C12H9NO7S
Mass
311.26
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Benzoxazoles
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzoxazoles
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Benzoxazoles
Alternative Parents
Tricarboxylic acids and derivatives Thia fatty acids Alkylarylthioethers Benzenoids Oxazoles Heteroaromatic compounds Sulfenyl compounds Oxacyclic compounds Carboxylic acids Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoxazole - Tricarboxylic acid or derivatives - Aryl thioether - Thia fatty acid - Alkylarylthioether - Benzenoid - Fatty acyl - Azole - Oxazole - Heteroaromatic compound - Carboxylic acid derivative - Carboxylic acid - Thioether - Sulfenyl compound - Oxacycle - Azacycle - Organopnictogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Carbonyl group - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzoxazoles. These are organic compounds containing a benzene fused to an oxazole ring Oxazole is five-membered aromatic ring with a nitrogen and an oxygen atoms at the 1- and 3-position, respectively.
External Descriptors
Not available