Compound Identification
SMILES
S=C1OC(C2=CC=CC=C12)(C1=CC=CC=C1)C1=CC=CC=C1
InChIKey
InChIKey=BOKCVULDSHBNET-UHFFFAOYSA-N
Formula
C20H14OS
Mass
302.39
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Isocoumarans
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Isocoumarans
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Isocoumarans
Alternative Parents
Benzene and substituted derivatives Carbothioic O-lactones Thioesters Carbothioic O-esters Oxacyclic compounds Thiocarbonyl compounds Organooxygen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isocoumaran - Benzenoid - Monocyclic benzene moiety - Carbothioic o-lactone - Carbothioic o-ester - Thiocarboxylic acid ester - Oxacycle - Thiocarboxylic acid or derivatives - Organic oxygen compound - Hydrocarbon derivative - Thiocarbonyl group - Organosulfur compound - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as isocoumarans. These are compounds containing the coumaran skeleton, which consists of a benzene ring fused to a 1,3-dihydrofuran ring.
External Descriptors
Not available