Compound Identification
SMILES
O=C1OC(=O)C2=CC3=C(OC4=C(C=C5C(=O)OC(=O)C5=C4)S3(=O)=O)C=C12
InChIKey
InChIKey=ZPTMJFQQYOFZHC-UHFFFAOYSA-N
Formula
C16H4O9S
Mass
372.26
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Benzoxathiins
- Subclass Phenoxathiins
-
Class
Benzoxathiins
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzoxathiins
Subclass
Phenoxathiins
Intermediate Tree Nodes
Not available
Direct Parent
Phenoxathiins
Alternative Parents
Tetracarboxylic acids and derivatives Phthalic anhydrides Diarylethers Isobenzofuranones Oxathiins Benzenoids Sulfones Carboxylic acid anhydrides Oxacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenoxathiin - Tetracarboxylic acid or derivatives - Diaryl ether - Phthalic anhydride - Phthalic_anhydride - Benzofuranone - Isobenzofuranone - Isocoumaran - 1,4-oxathiin - Benzenoid - Carboxylic acid anhydride - Sulfone - Carboxylic acid derivative - Ether - Oxacycle - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Organic oxide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as phenoxathiins. These are polycyclic aromatic compounds containing a phenoxathiin moiety, which is a linear tricyclic system that consists of a two benzene rings joined by a 1,4-oxathiin ring.
External Descriptors
Not available