Compound Identification
SMILES
CCOP(=S)(OCC)OC1=CC2=C(C=C1)C1(C)C(Cl)(C(=O)O2)C2(C)C3=C(OC(=O)C12Cl)C=C(OP(=S)(OCC)OCC)C=C3
InChIKey
InChIKey=KPPSNIXPCINDBZ-UHFFFAOYSA-N
Formula
C28H32Cl2O10P2S2
Mass
725.52
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
- Class 3,4-dihydrocoumarins
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
3,4-dihydrocoumarins
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
3,4-dihydrocoumarins
Alternative Parents
Aryl thiophosphates 1-benzopyrans Thiophosphate triesters Dicarboxylic acids and derivatives Benzenoids Lactones Carboxylic acid esters Oxacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl chlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3,4-dihydrocoumarin - Aryl thiophosphate - Chromane - Benzopyran - 1-benzopyran - Thiophosphate triester - Dicarboxylic acid or derivatives - Thiophosphoric acid ester - Organic thiophosphoric acid or derivatives - Benzenoid - Lactone - Carboxylic acid ester - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Organooxygen compound - Organochloride - Alkyl chloride - Organohalogen compound - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Alkyl halide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 3,4-dihydrocoumarins. These are 3,4-dihydrogenated coumarins. Coumarin is a bicyclic compound that a 1-benzopyran carrying an oxo group at the 2-position.
External Descriptors
Not available