Compound Identification
SMILES
CC1=C(C)C=C(C=C1)C1(O)OC(=O)C(=C1CC1=CC=CC=C1)C1=CC2=C(OCO2)C=C1
InChIKey
InChIKey=PMDSEPXGKNOHJE-UHFFFAOYSA-N
Formula
C26H22O5
Mass
414.457
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Benzodioxoles
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzodioxoles
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Benzodioxoles
Alternative Parents
o-Xylenes Butenolides Enoate esters Lactones Hemiacetals Oxacyclic compounds Monocarboxylic acids and derivatives Acetals Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzodioxole - O-xylene - Xylene - Monocyclic benzene moiety - 2-furanone - Benzenoid - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Dihydrofuran - Carboxylic acid ester - Hemiacetal - Lactone - Acetal - Carboxylic acid derivative - Oxacycle - Monocarboxylic acid or derivatives - Carbonyl group - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Organic oxide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzodioxoles. These are organic compounds containing a benzene ring fused to either isomers of dioxole. Dioxole is a five-membered unsaturated ring of two oxygen atoms and three carbon atoms.
External Descriptors
Not available