Compound Identification
SMILES
COC1=C(OC)C(OC)=C(C(C=O)=C1)C1=CC2=C(OCO2)C=C1C1(C)OCCS1
InChIKey
InChIKey=FUPMCOHFJPKVFD-UHFFFAOYSA-N
Formula
C21H22O7S
Mass
418.46
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
Phenoxy compounds Methoxybenzenes Benzoyl derivatives Benzaldehydes Anisoles Monothioketals Alkyl aryl ethers Oxathiolanes Oxacyclic compounds Acetals Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzodioxole - Phenoxy compound - Anisole - Benzaldehyde - Benzoyl - Methoxybenzene - Phenol ether - Alkyl aryl ether - Monothioketal - Aryl-aldehyde - Monocyclic benzene moiety - Benzenoid - Monothioacetal - Oxathiolane - Ether - Oxacycle - Acetal - Organooxygen compound - Aldehyde - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - 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