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Reference substances

Reference substances

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General information

Inventory

EC number:
209-876-0
EC name:
4',5'-dibromo-3',6'-dihydroxyspiro[isobenzofuran-1(3H),9'-[9H]xanthene]-3-one
CAS number:
596-03-2

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Reference substance information

IUPAC name:
4',5'-dibromo-3',6'-dihydroxy-3H-spiro[2-benzofuran-1,9'-xanthene]-3-one
Synonyms
Names:
Identifier:
IUPAC name
Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 4',5'-dibromo-3',6'-dihydroxy-
4',5'-dibromo-3',6'-dihydroxy-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one

CAS information

CAS number:
596-03-2

Molecular and structural information

Molecular formula:
C20H10Br2O5
Molecular weight:
490.098
SMILES notation:
Oc1ccc2c(Oc3c(Br)c(O)ccc3C24OC(=O)c5ccccc45)c1Br
InChl:
1/C20H10Br2O5/c21-15-13(23)7-5-11-17(15)26-18-12(6-8-14(24)16(18)22)20(11)10-4-2-1-3-9(10)19(25)27-20/h1-8,23-24H
Structural formula:
Chemical structure