RefChem:217811

hexasodium;4-[[4-[bis(2-hydroxyethyl)amino]-6-[4-[2-[4-[[4-[bis(2-hydroxyethyl)amino]-6-(2,4-disulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]-3-sulfonatoanilino]-1,3,5-triazin-2-yl]amino]benzene-1,3-disulfonate

Also Known As: 1,3-Benzenedisulfonic acid, 4,4'-[1,2-ethenediylbis[(3-sulfo-4,1-phenylene)imino[6-[bis(2-hydroxyethyl)amino]-1,3,5-triazine-4,2-diyl]imino]]bis-, hexasodium salt|1,3-Benzenedisulfonic acid, 4,4'-[1,2-ethenediylbis[(3-sulfo-4,1-phenylene)imino[6-[bis(2-hydroxyethyl)amino]-1,3,5-triazine-4,2-diyl]imino]]bis-, sodium salt (1:6)|1,3-Benzenedisulfonic acid, 4,4'-(1,2-ethenediylbis((3-sulfo-4,1-phenylene)imino(6-(bis(2-hydroxyethyl)amino)-1,3,5-triazine-4,2-diyl)imino))bis-, sodium salt (1:6)|Hexasodium 4,4'-{ethene-1,2-diylbis[(3-sulfonato-4,1-phenylene)azanediyl{6-[bis(2-hydroxyethyl)amino]-1,3,5-triazine-4,2-diyl}azanediyl]}di(benzene-1,3-disulfonate)

Molecular Formula	C40H38N12Na6O22S6
Molecular Weight	1367.9934 g/mol
LogP	-19.768
Topological Polar Surface Area	606.0 Ų
Hydrogen Bond Donors	8
Hydrogen Bond Acceptors	34
Rotatable Bonds	20
Exact Mass	1367.9934
Monoisotopic Mass	1367.9934
Heavy Atoms	86
Complexity	2450.0

Chemical Identifiers

CAS Number	68072-53-7
SMILES	C1=CC(=C(C=C1NC2=NC(=NC(=N2)N(CCO)CCO)NC3=C(C=C(C=C3)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])C=CC4=C(C=C(C=C4)NC5=NC(=NC(=N5)N(CCO)CCO)NC6=C(C=C(C=C6)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
InChIKey	BAJUOBBOYSPFCD-UHFFFAOYSA-H