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IUPAC name:
tetrasodium 7-{2-[2-(carbamoylamino)-4-{[4-fluoro-6-({4-[2-(sulfonatooxy)ethanesulfonyl]phenyl}amino)-1,3,5-triazin-2-yl]amino}phenyl]diazen-1-yl}naphthalene-1,3,6-trisulfonate

Inventory

CAS number:
888706-72-7

Synonyms

Molecular and structural information

Molecular formula:
C28H20FN9Na4O16S5
Molecular weight:
1 009.792
SMILES notation:
[Na+].[Na+].[Na+].[Na+].NC(=O)Nc1cc(Nc2nc(F)nc(Nc3ccc(cc3)S(=O)(=O)CCOS([O-])(=O)=O)n2)ccc1N=Nc1cc2c(cc(cc2cc1S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O
InChl:
InChI=1S/C28H24FN9O16S5.4Na/c29-25-34-27(31-15-1-4-17(5-2-15)55(40,41)8-7-54-59(51,52)53)36-28(35-25)32-16-3-6-20(21(11-16)33-26(30)39)37-38-22-13-19-14(10-24(22)58(48,49)50)9-18(56(42,43)44)12-23(19)57(45,46)47;;;;/h1-6,9-13H,7-8H2,(H3,30,33,39)(H,42,43,44)(H,45,46,47)(H,48,49,50)(H,51,52,53)(H2,31,32,34,35,36);;;;/q;4*+1/p-4/b38-37+;;;;
Structural formula:
Chemical structure

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