Compound Identification
SMILES
COC1=C(C)C2=C(C(=O)OC2)C(O)=C1CCOP(O)(=O)CP(O)(=O)OCCC1=C(O)C2=C(COC2=O)C(C)=C1OC
InChIKey
InChIKey=CKAKDGWWTAAGQL-UHFFFAOYSA-N
Formula
C25H30O14P2
Mass
616.449
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
Bisphosphonates Anisoles Alkyl aryl ethers Phosphonic acid esters Dicarboxylic acids and derivatives Vinylogous acids Organic phosphonic acids Lactones Carboxylic acid esters Oxacyclic compounds Organopnictogen compounds Organophosphorus compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phthalide - Bisphosphonate - Anisole - Alkyl aryl ether - Dicarboxylic acid or derivatives - Benzenoid - Phosphonic acid ester - Organophosphonic acid - Vinylogous acid - Organophosphonic acid derivative - Carboxylic acid ester - Lactone - Oxacycle - Ether - Carboxylic acid derivative - Organopnictogen compound - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Organophosphorus compound - Organooxygen 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