4',5'-Dichloro-3',6'-dihydroxy-2',7'-dimethoxy-3-oxo-3H-spiro[isobenzofuran-1,9'-xanthene]-5-carboxylic acid - 82855-39-8

4',5'-Dichloro-3',6'-dihydroxy-2',7'-dimethoxy-3-oxo-3H-spiro[isobenzofuran-1,9'-xanthene]-5-carboxylic acid

Catalog Number: EVT-447512
CAS Number: 82855-39-8
Molecular Formula: C23H14Cl2O9
Molecular Weight: 505.3 g/mol
The product is for non-human research only. Not for therapeutic or veterinary use.
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Product Introduction

Properties

CAS Number

82855-39-8

Product Name

4',5'-Dichloro-3',6'-dihydroxy-2',7'-dimethoxy-3-oxo-3H-spiro[isobenzofuran-1,9'-xanthene]-5-carboxylic acid

IUPAC Name

4',5'-dichloro-3',6'-dihydroxy-2',7'-dimethoxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-carboxylic acid

Molecular Formula

C23H14Cl2O9

Molecular Weight

505.3 g/mol

InChI

InChI=1S/C23H14Cl2O9/c1-31-13-6-11-19(15(24)17(13)26)33-20-12(7-14(32-2)18(27)16(20)25)23(11)10-4-3-8(21(28)29)5-9(10)22(30)34-23/h3-7,26-27H,1-2H3,(H,28,29)

InChI Key

AVDYNPKNLYWWHE-UHFFFAOYSA-N

SMILES

COC1=C(C(=C2C(=C1)C3(C4=C(C=C(C=C4)C(=O)O)C(=O)O3)C5=CC(=C(C(=C5O2)Cl)O)OC)Cl)O

Canonical SMILES

COC1=C(C(=C2C(=C1)C3(C4=C(C=C(C=C4)C(=O)O)C(=O)O3)C5=CC(=C(C(=C5O2)Cl)O)OC)Cl)O

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