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Reference substances

Reference substances

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General information

Inventory

EC number:
249-323-0
EC name:
Tetrasodium 4,4'-bis[[4-morpholino-6-(p-sulphonatoanilino)-1,3,5-triazin-2-yl]amino]stilbene-2,2'-disulphonate
CAS number:
28950-61-0

No inventory information available

Reference substance information

IUPAC name:
tetrasodium 5-{[4-(morpholin-4-yl)-6-[(4-sulfonatophenyl)amino]-1,3,5-triazin-2-yl]amino}-2-[(E)-2-(4-{[4-(morpholin-4-yl)-6-[(4-sulfonatophenyl)amino]-1,3,5-triazin-2-yl]amino}-2-sulfonatophenyl)ethenyl]benzene-1-sulfonate
Synonyms
Names:
Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis[5-[[4-(4-morpholinyl)-6-[(4-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-, tetrasodium salt
tetrasodium 2,2'-ethene-1,2-diylbis[5-({4-morpholin-4-yl-6-[(4-sulfonatophenyl)amino]-1,3,5-triazin-2-yl}amino)benzenesulfonate]

CAS information

CAS number:
28950-61-0

Molecular and structural information

Molecular formula:
C40H40N12O14S4.4Na
Molecular weight:
1 129.005
SMILES notation:
[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1ccc(Nc2nc(Nc3ccc(\C=C\c4ccc(Nc5nc(Nc6ccc(cc6)S(=O)(=O)[O-])nc(n5)N7CCOCC7)cc4S(=O)(=O)[O-])c(c3)S(=O)(=O)[O-])nc(n2)N8CCOCC8)cc1
InChl:
InChI=1/C40H40N12O14S4.4Na/c53-67(54,55)31-11-7-27(8-12-31)41-35-45-37(49-39(47-35)51-15-19-65-20-16-51)43-29-5-3-25(33(23-29)69(59,60)61)1-2-26-4-6-30(24-34(26)70(62,63)64)44-38-46-36(48-40(50-38)52-17-21-66-22-18-52)42-28-9-13-32(14-10-28)68(56,57)58;;;;/h1-14,23-24H,15-22H2,(H,53,54,55)(H,56,57,58)(H,59,60,61)(H,62,63,64)(H2,41,43,45,47,49)(H2,42,44,46,48,50);;;;/q;4*+1/p-4
Structural formula:
Chemical structure