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Reference substances

Reference substances

IUPAC name:
lithium(1+) disodium 2-{[4-chloro-6-(cyanoamino)-1,3,5-triazin-2-yl]amino}-5-hydroxy-6-(2-{2-methoxy-5-[2-(sulfonatooxy)ethanesulfonyl]phenyl}diazen-1-yl)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
Names:
lithium sodium 2-{[4-chloro-6-(cyanoamino)-1,3,5-triazin-2-yl]amino}-5-hydroxy-6-(2-{2-methoxy-5-[2-(sulfonatooxy)ethanesulfonyl]phenyl}diazen-1-yl)naphthalene-1,7-disulfonate

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+].[Li+]
InChl:
InChI=1S/C23H19ClN8O14S4.Li.Na/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);;
Structural formula:
Chemical structure

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