Compound Identification
SMILES
F[C@H]1CO[C@H](OCC2=CC=CC=C2)[C@@H]2O[C@H]12
InChIKey
InChIKey=RBTXAAXXHNIAES-QCNOEVLYSA-N
Formula
C12H13FO3
Mass
224.231
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Dioxepanes
- Subclass 1,4-dioxepanes
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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
Oxanes Benzene and substituted derivatives Oxacyclic compounds Epoxides Dialkyl ethers Acetals Organofluorides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1,4-dioxepane - Monocyclic benzene moiety - Oxane - Benzenoid - Acetal - Dialkyl ether - Oxirane - Ether - Oxacycle - Alkyl fluoride - Organic oxygen compound - Hydrocarbon derivative - Alkyl halide - Organohalogen compound - Organofluoride - Organooxygen compound - Aromatic 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