ClassyFire

Compound Identification

SMILES

CCOC(=O)C=C(C)SC1=CC(=O)C=CC1=O

InChIKey

InChIKey=CFTHZFMRJXPZQN-UHFFFAOYSA-N

Formula

C12H12O4S

Mass

252.28

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic oxygen compounds
  - Class Organooxygen compounds
    - Subclass Carbonyl compounds
      - Level 5 Ketones
        
        Level 6 Cyclic ketones
        
        Level 7 Quinones
        
        Level 8 Benzoquinones
        
        Level 9 P-benzoquinones

Kingdom

Organic compounds

Superclass

Organic oxygen compounds

Class

Organooxygen compounds

Subclass

Carbonyl compounds

Intermediate Tree Nodes

Ketones - Cyclic ketones - Quinones - Benzoquinones

Direct Parent

P-benzoquinones

Alternative Parents

Fatty acid esters Vinylogous thioesters Enoate esters Thioenol ethers Sulfenyl compounds Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives

Molecular Framework

Aliphatic homomonocyclic compounds

Substituents

P-benzoquinone - Fatty acid ester - Vinylogous thioester - Fatty acyl - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Thioenolether - Carboxylic acid ester - Sulfenyl compound - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Aliphatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as p-benzoquinones. These are benzoquinones where the two C=O groups are attached at the 1- and 4-positions, respectively.

External Descriptors

Not available

Export to: