Compound Identification
SMILES
CC(O)C1=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=KJGOIRYTUAHUDB-AJRMUJOLSA-N
Formula
C22H25ClO6S
Mass
452.95
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 Monothioketals Thianes Benzene and substituted derivatives Aryl chlorides Secondary alcohols 1,2-diols Oxacyclic compounds Primary alcohols Organochlorides Hydrocarbon derivatives Aromatic alcohols
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isocoumaran - Isobenzofuran - Monothioketal - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Thiane - Benzenoid - Monothioacetal - Secondary alcohol - 1,2-diol - Polyol - Oxacycle - Primary alcohol - Organooxygen compound - Organochloride - Organohalogen compound - Organic oxygen compound - Aromatic alcohol - Alcohol - Hydrocarbon derivative - 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