Compound Identification
SMILES
O=C1O[C@H](COCC2=CC=CC=C2)C[C@H]2O[C@@H]12
InChIKey
InChIKey=OVPPGNZIKKZCQB-QJPTWQEYSA-N
Formula
C13H14O4
Mass
234.251
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Benzylethers
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzylethers
Intermediate Tree Nodes
Not available
Direct Parent
Benzylethers
Alternative Parents
Delta valerolactones 1,4-dioxepanes Oxanes Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Epoxides Dialkyl ethers Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzylether - 1,4-dioxepane - Delta valerolactone - Dioxepane - Delta_valerolactone - Oxane - Carboxylic acid ester - Lactone - Organoheterocyclic compound - Ether - Oxirane - Oxacycle - Dialkyl ether - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organic oxygen compound - Carbonyl group - Organic oxide - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzylethers. These are aromatic ethers with the general formula ROCR' (R = alkyl, aryl; R'=benzene).
External Descriptors
Not available