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
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
-
Class
Benzopyrans
-
Subclass
1-benzopyrans
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Level 5
Dibenzopyrans
- Level 6 Xanthenes
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Level 5
Dibenzopyrans
-
Subclass
1-benzopyrans
-
Class
Benzopyrans
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzopyrans
Subclass
1-benzopyrans
Intermediate Tree Nodes
Dibenzopyrans
Direct Parent
Xanthenes
Alternative Parents
Benzothiazines Benzoic acids Benzoyl derivatives Dialkylarylamines Secondary alkylarylamines Phenoxides Aryl bromides Secondary ketimines Heteroaromatic compounds Carboxylic acid salts Cyclic ketones Oxacyclic compounds Azacyclic compounds Organic metal halides Carboxylic acids Hydrocarbon derivatives Organic chloride salts Organic oxides Organic sodium salts Organic zwitterions Organobromides
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