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IUPAC name:
hexasodium 2,2'-{ethene-1,2-diylbis[(3-sulfonato-4,1-phenylene)imino(6-morpholin-4-yl-1,3,5-triazine-4,2-diyl)imino]}dibenzene-1,4-disulfonate

Inventory

EC number:
257-827-7
EC name:
Hexasodium 2,2'-[vinylenebis[(3-sulphonato-4,1-phenylene)imino[6-morpholino-1,3,5-triazine-4,2-diyl]imino]]bis(benzene-1,4-disulphonate)
CAS number:
52301-70-9
CAS number:
52301-70-9
Synonyms
Names:
1,4-Benzenedisulfonic acid, 2,2'-[1,2-ethenediylbis[(3-sulfo-4,1-phenylene)imino[6-(4-morpholinyl)-1,3,5-triazine-4,2-diyl]imino]]bis-, hexasodium salt

Molecular and structural information

Molecular formula:
C40H40N12O20S6.6Na
Molecular weight:
1 333.095
SMILES notation:
[Na]OS(=O)(=O)c1ccc(c(Nc2nc(Nc3ccc(C=Cc4ccc(Nc5nc(Nc6cc(ccc6S(=O)(=O)O[Na])S(=O)(=O)O[Na])nc(n5)N7CCOCC7)cc4S(=O)(=O)O[Na])c(c3)S(=O)(=O)O[Na])nc(n2)N8CCOCC8)c1)S(=O)(=O)O[Na]
InChl:
InChI=1/C40H40N12O20S6.6Na/c53-73(54,55)27-7-9-31(75(59,60)61)29(21-27)43-37-45-35(47-39(49-37)51-11-15-71-16-12-51)41-25-5-3-23(33(19-25)77(65,66)67)1-2-24-4-6-26(20-34(24)78(68,69)70)42-36-46-38(50-40(48-36)52-13-17-72-18-14-52)44-30-22-28(74(56,57)58)8-10-32(30)76(62,63)64;;;;;;/h1-10,19-22H,11-18H2,(H,53,54,55)(H,56,57,58)(H,59,60,61)(H,62,63,64)(H,65,66,67)(H,68,69,70)(H2,41,43,45,47,49)(H2,42,44,46,48,50);;;;;;/q;6*+1/p-6/rC40H34N12Na6O20S6/c53-73-79(59,60)27-7-9-31(81(63,64)75-55)29(21-27)43-37-45-35(47-39(49-37)51-11-15-71-16-12-51)41-25-5-3-23(33(19-25)83(67,68)77-57)1-2-24-4-6-26(20-34(24)84(69,70)78-58)42-36-46-38(50-40(48-36)52-13-17-72-18-14-52)44-30-22-28(80(61,62)74-54)8-10-32(30)82(65,66)76-56/h1-10,19-22H,11-18H2,(H2,41,43,45,47,49)(H2,42,44,46,48,50)
Structural formula:
Chemical structure

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