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IUPAC name:
trisodium 3-amino-4-[2-(4-{[4-({2-[2-(ethenesulfonyl)ethoxy]ethyl}amino)-6-fluoro-1,3,5-triazin-2-yl]amino}-2-sulfonatophenyl)diazen-1-yl]-5-hydroxynaphthalene-2,7-disulfonate

Inventory

EC number:
429-240-8
EC name:
-
CAS number:
-
Description:
RED TZ 4556
CAS number:
212652-59-0
Synonyms
Names:
FAT 40574
Trisodium 3-amino-4-[4-[4-(2-(2-ethenylsulfonylethoxy)ethylamino)-6-fluoro-1,3,5-triazine-2-ylamino]-2-sulfophenylazo]-5-hydroxynaphthalene-2,7-disulfonate

Molecular and structural information

Molecular formula:
Hill formula: C25 H22 F N8 Na3 O13 S4
CAS formula: C25 H25 F N8 O13 S4 · 3 Na
Molecular weight:
ca. 858.7
SMILES notation:
[Na].O=S(=O)(O)C=1C=C(O)C2=C(N=NC3=CC=C(C=C3S(=O)(=O)O)NC4=NC(F)=NC(=N4)NCCOCCS(=O)(=O)C=C)C(N)=C(C=C2C1)S(=O)(=O)O
InChl:
InChI=1S/C25H25FN8O13S4.3Na/c1-2-48(36,37)8-7-47-6-5-28-24-30-23(26)31-25(32-24)29-14-3-4-16(18(11-14)50(41,42)43)33-34-22-20-13(10-19(21(22)27)51(44,45)46)9-15(12-17(20)35)49(38,39)40;;;/h2-4,9-12,35H,1,5-8,27H2,(H,38,39,40)(H,41,42,43)(H,44,45,46)(H2,28,29,30,31,32);;;
Structural formula:
Chemical structure

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