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Reference substances

Reference substances

Currently viewing:
IUPAC name:
disodium 2-(2,4,5,7-tetrabromo-6-oxido-3-oxo-3H-xanthen-9-yl)benzoate

Inventory

EC number:
241-409-6
EC name:
Disodium 2-(2,4,5,7-tetrabromo-6-oxido-3-oxoxanthen-9-yl)benzoate
CAS number:
17372-87-1
CAS number:
17372-87-1
Synonyms
Names:
Eosin YellowishVAN
Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 2',4',5',7'-tetrabromo-3',6'-dihydroxy-, disodium salt
Identifier:
IUPAC name
disodium 2-(2,4,5,7-tetrabromo-6-oxido-3-oxo-3H-xanthen-9-yl) benzoate
Identifier:
IUPAC name
Disodium 2-(2,4,5,7-tetrabromo-6-oxido-3-oxoxanthen-9-yl)benzoate
Identifier:
Colour Index
CI 45380 (Na salt)
Identifier:
common name
Acid red 87
Identifier:
other: Molecular formula
C20H8Br4O5.2Na
Identifier:
other: InChl
InChI=1/C20H8Br4O5.2Na/c21-11-5-9-13(7-3-1-2-4-8(7)20(27)28)10-6-12(22)17(26)15(24)19(10)29-18(9)14(23)16(11)25;;/h1-6,25H,(H,27,28);;/q;2*+1/p-2
Identifier:
other: SMILES notation
[Na+].[Na+].[O-]C(=O)c1ccccc1C2=C3C=C(Br)C(=O)C(=C3Oc4c(Br)c([O-])c(Br)cc24)Br

Molecular and structural information

Molecular formula:
C20H6Br4Na2O5
Molecular weight:
691.858
SMILES notation:
c1(c2c(oc3c1cc(Br)c(c3Br)[O-])c(c(=O)c(c2)Br)Br)c1c(cccc1)C(=O)[O-].[Na+].[Na+]
InChl:
1S/C20H8Br4O5.2Na/c21-11-5-9-13(7-3-1-2-4-8(7)20(27)28)10-6-12(22)17(26)15(24)19(10)29-18(9)14(23)16(11)25;;/h1-6,25H,(H,27,28);;/q;2*+1/p-2
Structural formula:
Chemical structure

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