CTK8H7742

tetrasodium;5-[4-(4-sulfonatophenyl)triazol-2-yl]-2-[2-[2-sulfonato-4-[4-(4-sulfonatophenyl)triazol-2-yl]phenyl]ethenyl]benzenesulfonate

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

Molecular Formula	C30H18N6Na4O12S4
Molecular Weight	873.9456 g/mol
LogP	-10.0152
Topological Polar Surface Area	324.0 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	16
Rotatable Bonds	6
Exact Mass	873.9456
Monoisotopic Mass	873.9456
Heavy Atoms	56
Complexity	1530.0

Chemical Identifiers

CAS Number	24239-35-8
SMILES	C1=CC(=CC=C1C2=NN(N=C2)C3=CC(=C(C=C3)C=CC4=C(C=C(C=C4)N5N=CC(=N5)C6=CC=C(C=C6)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]
InChIKey	BUZGSYSEJPGACH-UHFFFAOYSA-J