Compound Identification
SMILES
CCOC(=O)C1=C(C)C(C(=O)OCC)=C(CC(=O)C(=CC2=CC=C(O2)C2=CC=CC=C2C(O)=O)C#N)S1
InChIKey
InChIKey=AOZDMFVYYYUOGT-UHFFFAOYSA-N
Formula
C27H23NO8S
Mass
521.54
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Organic acids and derivatives
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
Carboxylic acids and derivatives
Subclass
Tricarboxylic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Tricarboxylic acids and derivatives
Alternative Parents
Benzoic acids Thiophene carboxylic acids and derivatives Benzoyl derivatives Alpha-branched alpha,beta-unsaturated ketones Acryloyl compounds Enones Furans Heteroaromatic compounds Carboxylic acid esters Ketones Oxacyclic compounds Carboxylic acids Nitriles Aldehydes Organic oxides Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzoic acid or derivatives - Benzoic acid - Tricarboxylic acid or derivatives - Benzoyl - Thiophene carboxylic acid or derivatives - Monocyclic benzene moiety - Alpha-branched alpha,beta-unsaturated-ketone - Benzenoid - Acryloyl-group - Heteroaromatic compound - Enone - Furan - Alpha,beta-unsaturated ketone - Thiophene - Carboxylic acid ester - Ketone - Carboxylic acid - Oxacycle - Organoheterocyclic compound - Carbonitrile - Nitrile - Aldehyde - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Cyanide - Organooxygen compound - Organic oxygen compound - Organopnictogen compound - Organonitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as tricarboxylic acids and derivatives. These are carboxylic acids containing exactly three carboxyl groups.
External Descriptors
Not available