Structure Information
Structure

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

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Anthracenes

Subclass

Anthraquinones

Intermediate Tree Nodes

Not available

Direct Parent

Anthraquinones

Alternative Parents

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

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