Structure Information
Structure

Compound Identification

SMILES

OC1=C(O)C=C(C=C2SC(N(NC(=O)CCCCCCCCC(=O)NN3C(SC(=CC4=CC(O)=C(O)C=C4)C3=O)C3=CC=C(Cl)C=C3)C2=O)C2=CC=C(Cl)C=C2)C=C1

InChIKey

InChIKey=KCUOUOUGPDOMNL-UHFFFAOYSA-N

Formula

C42H40Cl2N4O8S2

Mass

863.82

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Phenols

Subclass

Benzenediols

Intermediate Tree Nodes

Not available

Direct Parent

Catechols

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Catechol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Chlorobenzene - Halobenzene - Aryl chloride - Diacylhydrazine - Aryl halide - Monocyclic benzene moiety - Thiazolidine - Thioenolether - Carboxylic acid hydrazide - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as catechols. These are compounds containing a 1,2-benzenediol moiety.

External Descriptors

Not available

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