Compound Identification
SMILES
OC[C@H]1S[C@]2(OCC3=C2C=C(CC2=CC=C(OC(F)(F)F)C=C2)C=C3)[C@H](O)[C@@H](O)[C@@H]1O
InChIKey
InChIKey=DGIJJDKGDOVTRQ-OBKDMQGPSA-N
Formula
C21H21F3O6S
Mass
458.45
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
Isobenzofurans Phenoxy compounds Phenol ethers Monothioketals Thianes Trihalomethanes Secondary alcohols 1,2-diols Oxacyclic compounds Primary alcohols Organofluorides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isocoumaran - Isobenzofuran - Phenoxy compound - Phenol ether - Monothioketal - Monocyclic benzene moiety - Benzenoid - Thiane - Monothioacetal - 1,2-diol - Trihalomethane - Secondary alcohol - Oxacycle - Polyol - Organooxygen compound - Organofluoride - Organohalogen compound - Organic oxygen compound - Hydrocarbon derivative - Halomethane - Alkyl halide - Alkyl fluoride - Primary alcohol - Alcohol - 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