Compound Identification
SMILES
COC(=O)C1OC(C2=CC=CC=C12)C1=CC=CC=C1
InChIKey
InChIKey=HIWIGBOMNHKMPU-UHFFFAOYSA-N
Formula
C16H14O3
Mass
254.285
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Isocoumarans
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Isocoumarans
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Isocoumarans
Alternative Parents
Benzene and substituted derivatives Methyl esters Oxacyclic compounds Monocarboxylic acids and derivatives Dialkyl ethers Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isocoumaran - Monocyclic benzene moiety - Benzenoid - Methyl ester - Carboxylic acid ester - Carboxylic acid derivative - Oxacycle - Dialkyl ether - Monocarboxylic acid or derivatives - Ether - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as isocoumarans. These are compounds containing the coumaran skeleton, which consists of a benzene ring fused to a 1,3-dihydrofuran ring.
External Descriptors
Not available