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Reference substances

Reference substances

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IUPAC name:
Lithium, sodium 2-(4-chloro-6-cyanoamino-1,3,5-triazin-2-yla mino)-5-hydroxy-6-(2-methoxy-5-(sulfatoethanesulfonyl)phenyl azo)naphthalene-1,7-disulfonate

Inventory

EC number:
440-050-4
EC name:
-
CAS number:
-
Description:
REAKTIV-ORANGE DYPR 1466
CAS number:
243857-97-8

Synonyms

Molecular and structural information

Molecular formula:
Hill formula: C23H(19-x-y)ClLixN8NayO14S4 (x+y=3), x and y > 0
Molecular weight:
795.141 - 861.087
SMILES notation:
ClC1=NC(=NC(=N1)NC3=CC=C2C(=C(C(=CC2=C3[S](=O)(=O)[O-])[S](=O)(=O)[O-])N=NC4=CC(=CC=C4OC)[S](=O)(=O)CCO[S](=O)(=O)[O-])O)NC#N.[Na+].[Na+].[Na+]
as the sodium salt
InChl:
InChI=1S/C23H19ClN8O14S4.3Na/c1-45-16-5-2-11(47(34,35)7-6-46-50(42,43)44)8-15(16)31-32-18-17(48(36,37)38)9-13-12(19(18)33)3-4-14(20(13)49(39,40)41)27-23-29-21(24)28-22(30-23)26-10-25;;;/h2-5,8-9,33H,6-7H2,1H3,(H,36,37,38)(H,39,40,41)(H,42,43,44)(H2,26,27,28,29,30);;;/q;3*+1/p-3/b32-31+;;;
as the sodium salt
Structural formula:
Chemical structure

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