Estin; spiro[benzofuran-2(3H),1'-[2,5]cyclohexadiene]-2'-carboxylic acid,5,7-dichloro-4-hydroxy-6'-methoxy-6-methyl-3,4'-dioxo-,methyl ester,()-

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Catalog Number
ACM427634
Product Name
Estin; spiro[benzofuran-2(3H),1'-[2,5]cyclohexadiene]-2'-carboxylic acid,5,7-dichloro-4-hydroxy-6'-methoxy-6-methyl-3,4'-dioxo-,methyl ester,()-
Structure
Structure
CAS
427-63-4
Category
Heterocyclic Organic Compound
Synonyms
Estin; Spiro[benzofuran-2(3H),1'-[2,5]cyclohexadiene]-2'-carboxylic acid, 5,7-dichloro-4-hydroxy-6'-methoxy-6-methyl-3,4'-dioxo-, methyl ester, ( )-;Geodin
IUPAC Name
methyl 5,7-dichloro-4-hydroxy-5-methoxy-6-methyl-3,3-dioxospiro[1-benzofuran-2,6-cyclohexa-1,4-diene]-1-carboxylate
Molecular Weight
399.179
Molecular Formula
C17H12Cl2O7
Canonical SMILES
CC1=C(C2=C(C(=C1Cl)O)C(=O)C3(O2)C(=CC(=O)C=C3OC)C(=O)OC)Cl
InChI Key
LUBKKVGXMXTXOZ-UHFFFAOYSA-N
Boiling Point
652.1ºC at 760 mmHg
Flash Point
348.2ºC
Density
1.61 g/cm³
Appearance
Pale yellow solid
Exact Mass
397.99600
H-Bond Acceptor
7
H-Bond Donor
1
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