Compound Identification
SMILES
[Na+].CC(C)(C)OC(=O)NCCCCCNC(=O)C1=CC(C(O)=O)=C(C=C1)C1=C2C=CC(=[NH2+])C(=C2OC2=C1C=CC(N)=C2S([O-])(=O)=O)S([O-])(=O)=O
InChIKey
InChIKey=FPEMPRULVRWQRT-UHFFFAOYSA-M
Formula
C31H33N4NaO12S2
Mass
740.73
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Benzopyrans
-
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
Arylsulfonic acids and derivatives Benzamides Benzoic acids Benzoyl derivatives Sulfonyls Carbamate esters Heteroaromatic compounds Organosulfonic acids Secondary carboxylic acid amides Amino acids Carboxylic acids Oxacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organic sodium salts Organic zwitterions Primary amines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthene - Arylsulfonic acid or derivatives - Benzamide - Benzoic acid - Benzoic acid or derivatives - Benzoyl - Monocyclic benzene moiety - Benzenoid - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Carbamic acid ester - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - Amino acid or derivatives - Amino acid - Carboxylic acid - Carboxylic acid derivative - Oxacycle - Organic alkali metal salt - Amine - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Primary amine - Carbonyl group - Organic zwitterion - Organic salt - Organic sodium salt - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen 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