Structure Information
Structure

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

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Isocoumarans

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Isocoumarans

Alternative Parents

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

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