Compound Identification
SMILES
[Na+].OC(=O)C1=CC=CC=C1C1=C2C=C(C(O)=C(Br)C2=[O+]C2=C(Br)C(O)=C(C=C12)[N+]([O-])=O)[N+]([O-])=O
InChIKey
InChIKey=KZTJACXUYVGAPJ-UHFFFAOYSA-O
Formula
C20H9Br2N2NaO9
Mass
604.094
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Benzopyrans
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Subclass
1-benzopyrans
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Level 5
Dibenzopyrans
- Level 6 Xanthenes
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Level 5
Dibenzopyrans
-
Subclass
1-benzopyrans
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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
Benzoic acids Benzoyl derivatives Nitroaromatic compounds O-bromophenols Aryl bromides Heteroaromatic compounds Oxacyclic compounds Carboxylic acids Organic oxoazanium compounds Organic metal halides Organooxygen compounds Hydrocarbon derivatives Organic oxides Organic sodium salts Organobromides Organonitrogen compounds Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthene - Benzoic acid or derivatives - Benzoic acid - Nitroaromatic compound - Benzoyl - 2-halophenol - 2-bromophenol - Phenol - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Organic nitro compound - C-nitro compound - Organic metal halide - Oxacycle - Carboxylic acid derivative - Carboxylic acid - Organic alkali metal salt - Organic oxoazanium - Organic salt - Organic sodium salt - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organohalogen compound - Hydrocarbon derivative - Organobromide - Organonitrogen compound - Organooxygen compound - Organic cation - 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