CTK4E3495

tetrasodium;5-[[4-(2-hydroxyethylamino)-6-(4-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-[2-[4-[[4-(2-hydroxyethylamino)-6-(4-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate

Also Known As: Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis[5-[[4-[(2-hydroxyethyl)amino]-6-[(4-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-, tetrasodium salt|Benzenesulfonic acid,2,2'-(1,2-ethenediyl)bis[5-[[4-[(2-hydroxyethyl)amino]-6-[(4-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-,sodium salt (1:4)|Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis[5-[[4-[(2-hydroxyethyl)amino]-6-[(4-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-, sodium salt (1:4)|Tetrasodium 2,2'-(ethene-1,2-diyl)bis[5-({4-[(2-hydroxyethyl)amino]-6-(4-sulfonatoanilino)-1,3,5-triazin-2-yl}amino)benzene-1-sulfonate]

Molecular Formula	C36H32N12Na4O14S4
Molecular Weight	1076.0635 g/mol
LogP	-10.3578
Topological Polar Surface Area	452.0 Ų
Hydrogen Bond Donors	8
Hydrogen Bond Acceptors	26
Rotatable Bonds	16
Exact Mass	1076.0635
Monoisotopic Mass	1076.0635
Heavy Atoms	70
Complexity	1810.0

Chemical Identifiers

CAS Number	20182-56-3
SMILES	C1=CC(=CC=C1NC2=NC(=NC(=N2)NCCO)NC3=CC(=C(C=C3)C=CC4=C(C=C(C=C4)NC5=NC(=NC(=N5)NC6=CC=C(C=C6)S(=O)(=O)[O-])NCCO)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]
InChIKey	KBBXVSKGGMXRTL-UHFFFAOYSA-J