Structure Information
Structure

Compound Identification

SMILES

CC1NC2=C(C=C3C(OC4=C(C5=NC(C)C(C)(C)C5=CC4=C3C3=CC=C(C=C3)C(=O)NCCN3C4=C(C=C(Cl)C=C4)C(=NCC3=O)C3=CC=CC=C3F)S(O)(=O)=O)=C2S(O)(=O)=O)C1(C)C

InChIKey

InChIKey=VZYCJVBRCJNJRE-UHFFFAOYSA-N

Formula

C47H43ClFN5O9S2

Mass

940.46

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Benzopyrans

Subclass

1-benzopyrans

Intermediate Tree Nodes

Dibenzopyrans

Direct Parent

Xanthenes

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Xanthene - Diaryl ether - Benzodiazepine - 1,4-benzodiazepine - Alpha-amino acid or derivatives - Arylsulfonic acid or derivatives - Benzamide - Indole or derivatives - Dihydroindole - Benzoic acid or derivatives - Benzoyl - Aralkylamine - Secondary aliphatic/aromatic amine - Fluorobenzene - Halobenzene - Monocyclic benzene moiety - Benzenoid - Aryl halide - Aryl fluoride - Aryl chloride - Tertiary carboxylic acid amide - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Lactam - Ketimine - Secondary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Oxacycle - Secondary amine - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Ether - Carboxylic acid derivative - Organosulfur compound - Carbonyl group - Amine - Organic nitrogen compound - Organic oxygen compound - Imine - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organochloride - Organofluoride - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as xanthenes. These are polycyclic aromatic compounds containing a xanthene moiety, which consists of two benzene rings joined to each other by a pyran ring.

External Descriptors

Not available

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