Compound Identification
SMILES
OC(=O)OC1CC2=CC3=C(OCO3)C=C2C(=O)CS1
InChIKey
InChIKey=HZSPADIELFFPSL-UHFFFAOYSA-N
Formula
C12H10O6S
Mass
282.27
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Benzothiepins
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzothiepins
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Benzothiepins
Alternative Parents
Benzodioxoles Aryl alkyl ketones Benzenoids Monothioacetals Carbonic acid monoesters Oxacyclic compounds Acetals Organic oxides Hydrocarbon derivatives Aldehydes
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzothiepin - Benzodioxole - Aryl ketone - Aryl alkyl ketone - Benzenoid - Monothioacetal - Carbonic acid monoester - Carbonic acid derivative - Ketone - Acetal - Oxacycle - Aldehyde - Organooxygen compound - Carbonyl group - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzothiepins. These are organic compounds containing a benzene fused to a thiepine ring (a seven-membered ring with six carbon atoms and one sulfur atom).
External Descriptors
Not available