Compound Identification
SMILES
OC1=C(CCC=C\C=C2\C(=O)C3=CC=CC=C3OS2(=O)=O)OOC2=CC=CC=C12
InChIKey
InChIKey=NCSRRQXXCWRNMY-ZKXMWCBISA-N
Formula
C21H16O7S
Mass
412.41
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Benzodioxins
- Subclass Benzo-o-dioxins
-
Class
Benzodioxins
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzodioxins
Subclass
Benzo-o-dioxins
Intermediate Tree Nodes
Not available
Direct Parent
Benzo-o-dioxins
Alternative Parents
Aryl ketones Sulfonic acid esters Oxathiins Ortho dioxins Organosulfonic acid esters Benzenoids Oxacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzo-o-dioxin - Aryl ketone - Ortho-dioxin - 1,2-oxathiin - Sulfonic acid ester - Benzenoid - Organosulfonic acid ester - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Ketone - Oxacycle - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzo-o-dioxins. These are organic compounds containing a benzene ring fused to a 1,2-dioxin ring.
External Descriptors
Not available