Compound Identification
SMILES
ClC1=C(Br)C=C(C=N1)S(=O)(=O)NC1=CC2=C(COC2=O)C=C1
InChIKey
InChIKey=WHSPKOSDJBDQBM-UHFFFAOYSA-N
Formula
C13H8BrClN2O4S
Mass
403.63
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Isocoumarans
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Subclass
Isobenzofuranones
- Level 5 Phthalides
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Subclass
Isobenzofuranones
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Class
Isocoumarans
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Isocoumarans
Subclass
Isobenzofuranones
Intermediate Tree Nodes
Not available
Direct Parent
Phthalides
Alternative Parents
Sulfanilides Pyridinesulfonamides Polyhalopyridines 2-halopyridines Organosulfonamides Aryl bromides Aryl chlorides Aminosulfonyl compounds Heteroaromatic compounds Carboxylic acid esters Lactones Oxacyclic compounds Azacyclic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Organobromides Organochlorides Organonitrogen compounds Organooxygen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyridine-3-sulfonamide - Sulfanilide - Phthalide - Polyhalopyridine - 2-halopyridine - Aryl bromide - Aryl chloride - Organosulfonic acid amide - Benzenoid - Aryl halide - Pyridine - Aminosulfonyl compound - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Sulfonyl - Heteroaromatic compound - Carboxylic acid ester - Lactone - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Oxacycle - Azacycle - Organonitrogen compound - Organochloride - Organobromide - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organopnictogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as phthalides. These are compounds containing a 3-hydrocarbylidene-2-benzofuran-1(3H)-one moiety,.
External Descriptors
Not available