Compound Identification
SMILES
CCC(=S)OC1=C2C(=O)OCC2=C(C)C(OC)=C1C\C=C(/C)C[C@H](CCN1CCOCC1)C(O)=O
InChIKey
InChIKey=ZSPIUQGWWKDNIU-SCFNNSENSA-N
Formula
C26H35NO7S
Mass
505.63
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
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
Anisoles Medium-chain fatty acids Heterocyclic fatty acids Alkyl aryl ethers Amino fatty acids Methyl-branched fatty acids Unsaturated fatty acids Morpholines Trialkylamines Carbothioic O-esters Carboxylic acid esters Thioesters Lactones Amino acids Azacyclic compounds Oxacyclic compounds Carboxylic acids Dialkyl ethers Monocarboxylic acids and derivatives Carbonyl compounds Hydrocarbon derivatives Organic oxides Thiocarbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phthalide - Anisole - Phenol ether - Medium-chain fatty acid - Alkyl aryl ether - Amino fatty acid - Branched fatty acid - Heterocyclic fatty acid - Methyl-branched fatty acid - Morpholine - Oxazinane - Unsaturated fatty acid - Fatty acyl - Fatty acid - Benzenoid - Thiocarboxylic acid ester - Carbothioic o-ester - Tertiary amine - Amino acid or derivatives - Tertiary aliphatic amine - Amino acid - Carboxylic acid ester - Lactone - Thiocarboxylic acid or derivatives - Azacycle - Oxacycle - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Carboxylic acid - Ether - Dialkyl ether - Thiocarbonyl group - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Carbonyl group - Organooxygen compound - Organosulfur compound - Amine - Organic oxygen compound - Organic oxide - 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