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Reference substances

Reference substances

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General information

Inventory

EC number:
242-355-6
EC name:
3,4,5,6-tetrachloro-2-(1,4,5,8-tetrabromo-6-hydroxy-3-oxoxanthen-9-yl)benzoic acid
CAS number:
18472-87-2

No inventory information available

Reference substance information

IUPAC name:
Sodium 2,3,4,5-tetrachloro-6-(2,4,5,7-tetrabromo-6-oxido-3-oxo-3H-xanthen-9-yl)benzoate
Synonyms
Names:
Identifier:
IUPAC name
2',4',5',7'-tetrabromo-4,5,6,7-tetrachloro-3',6'-dihydroxy-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one
Identifier:
Colour Index
C.I. 45410
Identifier:
common name
Acid Red 92
Identifier:
common name
D & C Red no. 28
Identifier:
common name
Phloxine B
Identifier:
other: InChl
InChI=1S/C20H4Br4Cl4O5.2Na/c21-5-1-3-17(9(23)15(5)29)32-18-4(2-6(22)16(30)10(18)24)20(3)8-7(19(31)33-20)11(25)13(27)14(28)12(8)2
Identifier:
other: SMILES notation
[Na+].[Na+].[O-]c1c(Br)cc2c(Oc3c(Br)c([O-])c(Br)cc3C24OC(=O)c5c(Cl)c(Cl)c(Cl)c(Cl)c45)c1Br

CAS information

CAS number:
18472-87-2

Molecular and structural information

Molecular formula:
C20H4Br4Cl4O5.2Na
Molecular weight:
829.639
SMILES notation:
c1c2c(c(c(c1Br)[O-])Br)Oc3c(cc(c(c3Br)[O-])Br)C24c5c(c(c(c(c5Cl)Cl)Cl)Cl)C(=O)O4.[Na+].[Na+]
InChl:
1S/C20H4Br4Cl4O5.2Na/c21-5-1-3-17(9(23)15(5)29)32-18-4(2-6(22)16(30)10(18)24)20(3)8-7(19(31)33-20)11(25)13(27)14(28)12(8)26;;/h1-2,29-30H;;/q;2*+1/p-2
Structural formula:
Chemical structure