Catalog Number:
AG002X6N
Chemical Name:
Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis[5-[[4-(4-morpholinyl)-6-[(4-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-, sodium salt (1:4)
CAS Number:
28950-61-0
Molecular Formula:
C40H38N12Na4O14S4++
Molecular Weight:
1131.0208
MDL Number:
MFCD01762077
IUPAC Name:
tetrasodium;5-[[4-morpholin-4-yl-6-(4-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-morpholin-4-yl-6-(4-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate
InChI:
InChI=1S/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/b2-1+;;;;
InChI Key:
UOLRZRKZXIOJRT-MBCFVHIPSA-J
SMILES:
[O-]S(=O)(=O)c1cc(ccc1C=Cc1ccc(cc1S(=O)(=O)[O-])Nc1nc(Nc2ccc(cc2)S(=O)(=O)O)nc(n1)N1CCOCC1)Nc1nc(Nc2ccc(cc2)S(=O)(=O)O)nc(n1)N1CCOCC1.[Na+].[Na+].[Na+].[Na+]
EC Number:
249-323-0
