Compound Identification
SMILES
[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=FBFCXHLLFKZDGM-QKDODKLFSA-N
Formula
C27H20NO3
Mass
406.461
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 Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Organic oxoazanium compounds Dialkyl ethers Organopnictogen compounds Organonitrogen compounds Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isocoumaran - Monocyclic benzene moiety - Oxane - Benzenoid - C-nitro compound - Organic nitro compound - Dialkyl ether - Ether - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Oxacycle - Organic zwitterion - Organopnictogen compound - Organooxygen compound - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Organic salt - Hydrocarbon derivative - Organonitrogen compound - 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