Compound Identification
SMILES
O=C1OC2CC1C(=O)OC2
InChIKey
InChIKey=TVHRHXZIVFNRAL-UHFFFAOYSA-N
Formula
C6H6O4
Mass
142.11
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Dioxepanes
- Subclass 1,4-dioxepanes
-
Class
Dioxepanes
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Dioxepanes
Subclass
1,4-dioxepanes
Intermediate Tree Nodes
Not available
Direct Parent
1,4-dioxepanes
Alternative Parents
Delta valerolactones Oxanes Gamma butyrolactones Dicarboxylic acids and derivatives 1,3-dicarbonyl compounds Oxolanes Carboxylic acid esters Oxacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
1,4-dioxepane - Delta valerolactone - Delta_valerolactone - Dicarboxylic acid or derivatives - Gamma butyrolactone - 1,3-dicarbonyl compound - Oxane - Oxolane - Carboxylic acid ester - Lactone - Oxacycle - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Organooxygen compound - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 1,4-dioxepanes. These are dioxepanes with the two ring oxygen atoms at position 1 and 4, respectively.
External Descriptors
Not available