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Reference substances

Reference substances

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General information

Inventory

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Reference substance information

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

Molecular and structural information

Molecular formula:
C28H21N9Na4O17S5
Molecular weight:
1 007.82
SMILES notation:
[Na+].[Na+].[Na+].[Na+].NC(=O)Nc1cc(Nc2nc(O)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/C28H25N9O17S5.4Na/c29-25(38)32-21-11-16(31-27-33-26(34-28(39)35-27)30-15-1-4-17(5-2-15)55(40,41)8-7-54-59(51,52)53)3-6-20(21)36-37-22-13-19-14(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,(H3,29,32,38)(H,42,43,44)(H,45,46,47)(H,48,49,50)(H,51,52,53)(H3,30,31,33,34,35,39);;;;/q;4*+1/p-4/b37-36+;;;;
Structural formula:
Chemical structure