Structure Information
Structure

Compound Identification

SMILES

[Na+].[Na+].[Cl-].[Cl-].CNC1=CC2=C(C=C1)N=C1C=CC(C=C1S2)=[N+](C)C.CN(C)C1=CC2=C(C=C1)N=C1C=CC(C=C1S2)=[N+](C)C.[O-]C(=O)C1=CC=CC=C1C1=C2C=C(Br)C(=O)C(Br)=C2OC2=C(Br)C([O-])=C(Br)C=C12

InChIKey

InChIKey=CSDDIABEPMTRIP-UHFFFAOYSA-K

Formula

C51H40Br4Cl2N6Na2O5S2

Mass

1317.53

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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

Not available

Substituents

Xanthene - Benzothiazine - Benzoic acid or derivatives - Benzoic acid - Benzoyl - Dialkylarylamine - Phenoxide - Secondary aliphatic/aromatic amine - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Secondary ketimine - Tertiary amine - Carboxylic acid salt - Cyclic ketone - Organic metal halide - Oxacycle - Azacycle - Carboxylic acid derivative - Organic alkali metal salt - Carboxylic acid - Secondary amine - Organobromide - Organohalogen compound - Organic oxide - Amine - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic chloride salt - Organic sodium salt - Hydrocarbon derivative - Organic salt - Organic zwitterion - 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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