Compound Identification
SMILES
C=CC[C@]12COC(=O)[C@@H]([C@H]1CC(=O)C=C2)S(=O)(=O)C1=CC=CC=C1
InChIKey
InChIKey=IFZBTWAFPPCXHY-NUJGCVRESA-N
Formula
C18H18O5S
Mass
346.4
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Benzopyrans
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzopyrans
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Benzopyrans
Alternative Parents
Benzenesulfonyl compounds Delta valerolactones Cyclohexenones Oxanes Sulfones Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzopyran - Benzenesulfonyl group - Cyclohexenone - Delta valerolactone - Delta_valerolactone - Monocyclic benzene moiety - Benzenoid - Oxane - Sulfonyl - Sulfone - Carboxylic acid ester - Cyclic ketone - Ketone - Lactone - Carboxylic acid derivative - Oxacycle - Monocarboxylic acid or derivatives - Organic oxygen compound - Hydrocarbon derivative - Carbonyl group - Organosulfur compound - Organooxygen compound - Organic oxide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzopyrans. These are organic compounds containing a benzene ring fused to a pyran ring. Pyran a six-membered heterocyclic, non-aromatic ring, made up of five carbon atoms and one oxygen atom and containing two double bonds.
External Descriptors
Not available