Compound Identification
SMILES
[Fe++].[CH]1[CH][CH][CH][CH]1.[O-][N+](=O)C[C@H]1[C]2[CH][CH][CH][C]2[C@@]2(O[C@]1(C1=CC=CC=C21)C1=CC=CC=C1)C1=CC=CC=C1
InChIKey
InChIKey=RKMSCTRRKXDBHO-DXDRFYQPSA-N
Formula
C32H25FeNO3
Mass
527.4
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
Oxanes Benzene and substituted derivatives C-nitro compounds Oxacyclic compounds Organic transition metal salts Organic oxoazanium compounds Dialkyl ethers Cycloalkenes Unsaturated aliphatic hydrocarbons Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Not available
Substituents
Isocoumaran - Oxane - Monocyclic benzene moiety - Benzenoid - C-nitro compound - Organic nitro compound - Cycloalkene - Dialkyl ether - Ether - Cyclic olefin - Organic oxoazanium - Oxacycle - Organic transition metal salt - Organic salt - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Olefin - Unsaturated hydrocarbon - Unsaturated aliphatic hydrocarbon - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organic cation - Hydrocarbon - 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