Compound Identification
SMILES
O=S1(=O)OC(=CC2=C1CCCC2)C1=CC=CC=C1
InChIKey
InChIKey=YXPCLKGAZBHXBU-UHFFFAOYSA-N
Formula
C14H14O3S
Mass
262.32
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Oxathiins
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Oxathiins
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Oxathiins
Alternative Parents
Sulfonic acid esters Organosulfonic acid esters Benzene and substituted derivatives Oxacyclic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzenoid - Organosulfonic acid ester - Sulfonic acid ester - 1,2-oxathiin - Monocyclic benzene moiety - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Oxacycle - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as oxathiins. These are compounds containing an oxathiin moiety, which consists of an unsaturated aliphatic six-member ring with one oxygen atom, a sulfur atom, and four carbon atoms. Isomers of oxaphospholane include 1,2-oxathiin, 1,3-oxathiin,and 1,4-oxathiin.
External Descriptors
Not available