Structure Information
Structure

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

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Taxonomic Classification

Taxonomy Tree

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

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

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