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Reference substances

Reference substances

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General information

Inventory

EC number:
208-253-0
EC name:
Disodium 2-(3-oxo-6-oxidoxanthen-9-yl)benzoate
CAS number:
518-47-8

No inventory information available

Reference substance information

IUPAC name:
disodium 2-(6-oxido-3-oxo-3H-xanthen-9-yl)benzoate
Synonyms
Names:
Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 3',6'-dihydroxy-, disodium salt
disodium_2-(3-oxo-6-oxidoxanthen-9-yl)benzoate
Identifier:
IUPAC name
disodium 2-(6-oxido-3-oxo-3H-xanthen-9-yl)benzoate
Identifier:
other: Molecular formula
C20 H10 O5 Na2 (As disodium salt) or C20 H12 O5 (As free acid)
disodium 3-oxo-3H-spiro[2-benzofuran-1,9'-xanthene]-3',6'-diolate

CAS information

CAS number:
518-47-8

Molecular and structural information

Molecular formula:
C20H12O5.2Na
Molecular weight:
376.27
SMILES notation:
[Na+].[Na+].[O-]c1ccc2c(Oc3cc([O-])ccc3C24OC(=O)c5ccccc45)c1
InChl:
InChI=1/C20H12O5.2Na/c21-11-5-7-15-17(9-11)24-18-10-12(22)6-8-16(18)20(15)14-4-2-1-3-13(14)19(23)25-20;;/h1-10,21-22H;;/q;2*+1/p-2
Structural formula:
Chemical structure