Compound Identification
SMILES
CSC1=CC=C(CC2=C(Cl)C=C3CO[C@]4(S[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C3=C2)C=C1
InChIKey
InChIKey=ACJOISQULDEJAY-ADAARDCZSA-N
Formula
C21H23ClO5S2
Mass
454.98
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 Thiophenol ethers Monothioketals Alkylarylthioethers Thianes Benzene and substituted derivatives Aryl chlorides Secondary alcohols 1,2-diols Sulfenyl compounds Oxacyclic compounds Primary alcohols Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isocoumaran - Isobenzofuran - Aryl thioether - Thiophenol ether - Alkylarylthioether - Monothioketal - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Thiane - Monothioacetal - Secondary alcohol - 1,2-diol - Polyol - Sulfenyl compound - Oxacycle - Thioether - Primary alcohol - Organosulfur compound - Organooxygen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic oxygen compound - 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