Compound Identification
SMILES
CC1(C)C(C2C(CC2=O)S1(=O)=O)C(O)=O
InChIKey
InChIKey=DGPAQPHMHJFRCA-UHFFFAOYSA-N
Formula
C9H12O5S
Mass
232.25
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Thiepanes
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Thiepanes
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Thiepanes
Alternative Parents
Thiolanes Sulfones Ketones Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Thiepane - Thiolane - Sulfone - Ketone - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as thiepanes. These are organic compounds containing a heptane ring in which one carbon atom is replaced by a sulfur atom.
External Descriptors
Not available