Compound Identification
SMILES
[H][C@@]1(C[C@](C)(O)[C@]([H])(C(O)=O)C2=CC3=C(C(O)=C12)C(=O)C1=C(O)C=CC(O)=C1C3([H])OS(O)(=O)=O)OS(O)(=O)=O
InChIKey
InChIKey=CWQPPAWHMVPOFA-MBAKKETGSA-N
Formula
C20H18O15S2
Mass
562.47
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Anthracenes
-
Subclass
Anthracenecarboxylic acids and derivatives
- Level 5 Anthracenecarboxylic acids
-
Subclass
Anthracenecarboxylic acids and derivatives
-
Class
Anthracenes
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Anthracenes
Subclass
Anthracenecarboxylic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Anthracenecarboxylic acids
Alternative Parents
Naphthalenecarboxylic acids Tetralins Aryl ketones 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Sulfuric acid monoesters Alkyl sulfates Vinylogous acids Tertiary alcohols Polyols Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Anthracene carboxylic acid - 1-naphthalenecarboxylic acid or derivatives - 1-naphthalenecarboxylic acid - Tetralin - Aryl ketone - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Sulfuric acid ester - Alkyl sulfate - Sulfate-ester - Sulfuric acid monoester - Vinylogous acid - Tertiary alcohol - Organic sulfuric acid or derivatives - Ketone - Polyol - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Alcohol - Aromatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as anthracenecarboxylic acids. These are organic compounds containing a carboxylic acid group attached to an anthracene ring system.
External Descriptors
Not available