Structure Information
Structure

Compound Identification

SMILES

CC1=CC2=C(C=C1C(O)=O)S(=O)(=O)CCCC2

InChIKey

InChIKey=NVAIENQWRQKYSV-UHFFFAOYSA-N

Formula

C12H14O4S

Mass

254.3

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Benzothiepins

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Benzothiepins

Alternative Parents

Benzenoids Sulfones Carboxylic acids Organooxygen compounds Organic oxides Hydrocarbon derivatives

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Benzothiepin - Benzenoid - Sulfone - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as benzothiepins. These are organic compounds containing a benzene fused to a thiepine ring (a seven-membered ring with six carbon atoms and one sulfur atom).

External Descriptors

Not available

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