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Structure Information
Structure

Compound Identification

SMILES

OC1=C(CCC=C\C=C2\C(=O)C3=CC=CC=C3OS2(=O)=O)OOC2=CC=CC=C12

InChIKey

InChIKey=NCSRRQXXCWRNMY-ZKXMWCBISA-N

Formula

C21H16O7S

Mass

412.41

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Benzodioxins

Subclass

Benzo-o-dioxins

Intermediate Tree Nodes

Not available

Direct Parent

Benzo-o-dioxins

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Benzo-o-dioxin - Aryl ketone - Ortho-dioxin - 1,2-oxathiin - Sulfonic acid ester - Benzenoid - Organosulfonic acid ester - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Ketone - Oxacycle - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organic oxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as benzo-o-dioxins. These are organic compounds containing a benzene ring fused to a 1,2-dioxin ring.

External Descriptors

Not available

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