Compound Identification
SMILES
CCCCC1OC(=O)C2=C1CC[C@H](O)[C@H]2O
InChIKey
InChIKey=AXRIHSJZHOTGAE-PGIIIRCOSA-N
Formula
C12H18O4
Mass
226.272
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Isobenzofurans
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Isobenzofurans
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Isobenzofurans
Alternative Parents
Butenolides Enoate esters Secondary alcohols Lactones 1,2-diols Oxacyclic compounds Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Isobenzofuran - 2-furanone - Dihydrofuran - Alpha,beta-unsaturated carboxylic ester - Enoate ester - 1,2-diol - Carboxylic acid ester - Secondary alcohol - Lactone - Carboxylic acid derivative - Oxacycle - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organic oxygen compound - Carbonyl group - Organic oxide - Alcohol - Organooxygen compound - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as isobenzofurans. These are organic aromatic compounds containing an isobenzofuran moiety.
External Descriptors
Not available