Structure Information
Structure

Compound Identification

SMILES

[Br-].COC1=C2OCCC2=C(C=C1)C(=O)NC1=C(Cl)C=NC=C1Cl.C[N+]1(C)C2CC(CC1[C@@H]1O[C@H]21)OC(=O)C(O)(C1=CC=CS1)C1=CC=CS1

InChIKey

InChIKey=KXNYPIQEVQSYAE-XMPVXWCESA-M

Formula

C34H34BrCl2N3O7S2

Mass

811.58

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Coumarans

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Coumarans

Alternative Parents

Molecular Framework

Not available

Substituents

Coumaran - Anisole - Phenol ether - Polyhalopyridine - Alkyl aryl ether - Pyridine - Piperidine - N-alkylpyrrolidine - Aryl chloride - Benzenoid - Oxazinane - Morpholine - Aryl halide - Tertiary alcohol - Thiophene - Pyrrolidine - Tetraalkylammonium salt - Heteroaromatic compound - Quaternary ammonium salt - Secondary carboxylic acid amide - Carboxylic acid ester - Carboxamide group - Oxacycle - Carboxylic acid derivative - Azacycle - Dialkyl ether - Oxirane - Ether - Monocarboxylic acid or derivatives - Organic bromide salt - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Amine - Organic nitrogen compound - Alcohol - Carbonyl group - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organic salt - Organic zwitterion - Aromatic alcohol - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as coumarans. These are compounds containing the coumaran skeleton, which consists of a benzene ring fused to a 2,3-dihydrofuran ring.

External Descriptors

Not available

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