Structure Information
Structure

Compound Identification

SMILES

FC1=C2OC[C@@H]3[C@@H](CCC#N)OCC[C@@]3(C2=C(F)C=C1)S(=O)(=O)C1=CC=C(Cl)C=C1

InChIKey

InChIKey=YBMCEYFBYSXPGP-FQELHTAISA-N

Formula

C21H18ClF2NO4S

Mass

453.88

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Benzopyrans

Subclass

1-benzopyrans

Intermediate Tree Nodes

Not available

Direct Parent

1-benzopyrans

Alternative Parents

Benzenesulfonyl compounds Chlorobenzenes Alkyl aryl ethers Oxanes Aryl fluorides Aryl chlorides Sulfones Oxacyclic compounds Nitriles Dialkyl ethers Organofluorides Organochlorides Organic oxides Hydrocarbon derivatives

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

1-benzopyran - Benzenesulfonyl group - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aryl chloride - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Oxane - Sulfonyl - Sulfone - Oxacycle - Dialkyl ether - Ether - Carbonitrile - Nitrile - Organic oxide - Cyanide - Organosulfur compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organohalogen compound - Organochloride - Organofluoride - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as 1-benzopyrans. These are organic aromatic compounds that 1-benzopyran, a bicyclic compound made up of a benzene ring fused to a pyran, so that the oxygen atom is at the 1-position.

External Descriptors

Not available

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