Compound Identification
SMILES
[Ca++].OC1=CC=CC2=C1C(=O)C1=C(C=CC=C1O)C2=O.CCCCCCCCOC(=O)CC(C(=O)OCCCCCCCC)S([O-])(=O)=O.CCCCCCCCOC(=O)CC(C(=O)OCCCCCCCC)S([O-])(=O)=O
InChIKey
InChIKey=MRQFXNIXXIGSPI-UHFFFAOYSA-L
Formula
C54H82CaO18S2
Mass
1123.43
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Anthracenes
- Subclass Anthraquinones
-
Class
Anthracenes
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Anthracenes
Subclass
Anthraquinones
Intermediate Tree Nodes
Not available
Direct Parent
Anthraquinones
Alternative Parents
Aryl ketones Fatty acid esters 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Dicarboxylic acids and derivatives Vinylogous acids Sulfonyls Organosulfonic acids Alkanesulfonic acids Carboxylic acid esters Organic calcium salts Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Not available
Substituents
9,10-anthraquinone - Anthraquinone - Aryl ketone - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Fatty acid ester - Phenol - Dicarboxylic acid or derivatives - Fatty acyl - Vinylogous acid - Alkanesulfonic acid - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Carboxylic acid ester - Ketone - Organic calcium salt - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic salt - Carbonyl group - Organooxygen compound - Organosulfur compound - Organic cation - Aromatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as anthraquinones. These are organic compounds containing either anthracene-9,10-quinone, 1,4-anthraquinone, or 1,2-anthraquinone.
External Descriptors
Not available