Compound Identification
SMILES
[Na+].[Na+].[Na+].[Na+].Cl.CC(C)(O)C(Cl)(Cl)Cl.C=CN1CCCC1=O.OC(=O)CN(CCN(CC(O)=O)CC([O-])=O)CC([O-])=O.CCCCOC1=C(N)C=CC(=C1)C(=O)OCCN(CC)CC.[O-]C1=CC2=C(C=C1)C1(OC(=O)C3=CC=CC=C13)C1=C(O2)C=C([O-])C=C1
InChIKey
InChIKey=NOPBAFOXKXYZHK-UHFFFAOYSA-J
Formula
C57H69Cl4N5Na4O18
Mass
1345.96
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
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
Tetracarboxylic acids and derivatives Diarylethers Alpha amino acids Aminobenzoic acids and derivatives Benzofuranones Benzoic acid esters Phthalides Aminophenyl ethers Isobenzofurans Phenoxy compounds Aniline and substituted anilines Benzoyl derivatives Phenoxides Alkyl aryl ethers Pyrrolidine-2-ones Tertiary carboxylic acid amides Tertiary alcohols Trialkylamines Amino acids Lactones Lactams Carboxylic acid esters Chlorohydrins Carboxylic acid salts Oxacyclic compounds Organic metal halides Azacyclic compounds Carboxylic acids Hydrochlorides Alkyl chlorides Organochlorides Organopnictogen compounds Organic oxides Organic sodium salts Hydrocarbon derivatives Carbonyl compounds Primary amines Organic zwitterions
Molecular Framework
Not available
Substituents
Xanthene - Tetracarboxylic acid or derivatives - Diaryl ether - Alpha-amino acid - Phthalide - Benzoate ester - Isobenzofuranone - Benzofuranone - Aminobenzoic acid or derivatives - Alpha-amino acid or derivatives - Isobenzofuran - Isocoumaran - Benzoic acid or derivatives - Aminophenyl ether - Phenoxy compound - Aniline or substituted anilines - Phenol ether - Benzoyl - Alkyl aryl ether - Phenoxide - Benzenoid - Pyrrolidone - 2-pyrrolidone - Monocyclic benzene moiety - Pyrrolidine - Tertiary alcohol - Tertiary carboxylic acid amide - Tertiary aliphatic amine - Amino acid or derivatives - Lactone - Amino acid - Carboxamide group - Carboxylic acid ester - Carboxylic acid salt - Chlorohydrin - Lactam - Tertiary amine - Halohydrin - Organic metal halide - Organic alkali metal salt - Carboxylic acid derivative - Azacycle - Carboxylic acid - Oxacycle - Ether - Organohalogen compound - Alkyl halide - Alcohol - Alkyl chloride - Organic zwitterion - Carbonyl group - Hydrocarbon derivative - Primary amine - Organic oxide - Organic salt - Organic sodium salt - Organopnictogen compound - Hydrochloride - Organic nitrogen compound - Organooxygen compound - Organic oxygen compound - Amine - Organonitrogen compound - Organochloride - 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