Compound Identification
SMILES
[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].CC1=CC(OCCOC2=C(C=CC(=C2)C2=C3C=C(Cl)C(=O)C=C3OC3=CC([O-])=C(Cl)C=C23)N(CC([O-])=O)CC([O-])=O)=C(C=C1)N(CC([O-])=O)CC([O-])=O
InChIKey
InChIKey=ABPVTPOQYAKASW-UHFFFAOYSA-N
Formula
C36H45Cl2N7O13
Mass
854.69
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
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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
Tetracarboxylic acids and derivatives Alpha amino acids Aminophenyl ethers Phenoxy compounds Aminotoluenes Aniline and substituted anilines Dialkylarylamines Alkyl aryl ethers Phenoxides Aryl chlorides Quaternary ammonium salts Heteroaromatic compounds Cyclic ketones Carboxylic acid salts Amino acids Carboxylic acids Oxacyclic compounds Organic oxides Organic salts Organic zwitterions Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthene - Tetracarboxylic acid or derivatives - Alpha-amino acid - Alpha-amino acid or derivatives - Aminophenyl ether - Phenoxy compound - Phenol ether - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Aminotoluene - Phenoxide - Toluene - Alkyl aryl ether - Aryl chloride - Benzenoid - Aryl halide - Monocyclic benzene moiety - Heteroaromatic compound - Quaternary ammonium salt - Amino acid - Amino acid or derivatives - Cyclic ketone - Carboxylic acid salt - Tertiary amine - Carboxylic acid derivative - Oxacycle - Carboxylic acid - Ether - Organic oxygen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Carbonyl group - Amine - Organic zwitterion - Organic salt - Hydrocarbon derivative - Organooxygen compound - Organic nitrogen compound - Organic oxide - 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