Compound Identification
SMILES
CC1=CC=C(CSC2=C3C(=O)C4=CC=CC=C4C(=O)C3=C(N)C(=C2)C(=O)OC2CCC3CC(Br)CCC3C2)C=C1
InChIKey
InChIKey=KRUCEXNGSIUXRB-UHFFFAOYSA-N
Formula
C33H32BrNO4S
Mass
618.59
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Anthracenes
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Subclass
Anthracenecarboxylic acids and derivatives
- Level 5 Anthracenecarboxylic acids
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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
Anthraquinones Naphthalenecarboxylic acids M-sulfanylbenzoic acids and derivatives Aryl ketones Thiophenol ethers Toluenes Alkylarylthioethers Vinylogous thioesters Vinylogous amides Carboxylic acid esters Amino acids and derivatives Sulfenyl compounds Primary amines Organobromides Organic oxides Hydrocarbon derivatives Alkyl bromides
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Anthracene carboxylic acid - 9,10-anthraquinone - Anthraquinone - 2-naphthalenecarboxylic acid - 2-naphthalenecarboxylic acid or derivatives - M-sulfanylbenzoic acid or derivatives - Aryl thioether - Aryl ketone - Thiophenol ether - Alkylarylthioether - Toluene - Monocyclic benzene moiety - Vinylogous thioester - Vinylogous amide - Amino acid or derivatives - Carboxylic acid ester - Ketone - Sulfenyl compound - Thioether - Carboxylic acid derivative - Primary amine - Alkyl halide - Hydrocarbon derivative - Organohalogen compound - Organobromide - Organonitrogen compound - Alkyl bromide - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Amine - Organosulfur compound - 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