EINECS 287-727-9

tetrasodium;5-[[4-[bis[2-(2-chloroethylsulfonyl)ethyl]amino]-6-chloro-1,3,5-triazin-2-yl]amino]-3-[(1,5-disulfonatonaphthalen-2-yl)diazenyl]-4-hydroxynaphthalene-2,7-disulfonate

Also Known As: 1,5-Naphthalenedisulfonic acid, 2-((8-((4-(bis(2-((2-chloroethyl)sulfonyl)ethyl)amino)-6-chloro-1,3,5-triazin-2-yl)amino)-1-hydroxy-3,6-disulfo-2-naphthalenyl)azo)-, sodium salt|1,5-Naphthalenedisulfonic acid, 2-((8-((2-chloro-6-(N,N-di(((2-chloroethyl)sulfonyl)ethyl)amino)-1,3,5-triaz-4-yl)amino)-1-hydroxy-3,6-disulfonaphth-2-yl)azo)-, sodium salt|1,5-Naphthalenedisulfonic acid, 2-(2-(8-((4-(bis(2-((2-chloroethyl)sulfonyl)ethyl)amino)-6-chloro-1,3,5-triazin-2-yl)amino)-1-hydroxy-3,6-disulfo-2-naphthalenyl)diazenyl)-, sodium salt (1:?)|1,5-Naphthalenedisulfonic acid, 2-[[8-[[4-[bis[2-[(2-chloroethyl)sulfonyl]ethyl]amino]-6-chloro-1,3,5-triazin-2-yl]amino]-1-hydroxy-3,6-disulfo-2-naphthalenyl]azo]-, sodium salt|1,5-Naphthalenedisulfonic acid, 2-[[8-[[4-[bis[2-[(2-chloroethyl) sulfonyl]ethyl]amino]-6-chloro-1,3,5-triazin -2-yl]amino]-1-hydroxy-3,6-disulfo-2-naphthaleny l]azo]-, sodium salt|2-((8-((4-(Bis(2-((2-chloroethyl)sulphonyl)ethyl)amino)-6-chloro-1,3,5-triazin-2-yl)amino)-1-hydroxy-3,6-disulpho-2-naphthyl)azo)naphthalene-1,5-disulphonic acid, sodium salt|2-[[8-[[4-[bis[2-[(2-chloroethyl)sulphonyl]ethyl]amino]-6-chloro-1,3,5-triazin-2-yl]amino]-1-hydroxy-3,6-disulpho-2-naphthyl]azo]naphthalene-1,5-disulphonic acid, sodium salt

Molecular Formula	C31H26Cl3N7Na4O17S6
Molecular Weight	1156.8365 g/mol
LogP	-9.558
Topological Polar Surface Area	446.0 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	24
Rotatable Bonds	15
Exact Mass	1156.8365
Monoisotopic Mass	1156.8365
Heavy Atoms	68
Complexity	2230.0

Chemical Identifiers

CAS Number	85567-15-3
SMILES	C1=CC2=C(C=CC(=C2S(=O)(=O)[O-])N=NC3=C(C4=C(C=C(C=C4C=C3S(=O)(=O)[O-])S(=O)(=O)[O-])NC5=NC(=NC(=N5)Cl)N(CCS(=O)(=O)CCCl)CCS(=O)(=O)CCCl)O)C(=C1)S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]
InChIKey	PTMWSJHXOFORRM-UHFFFAOYSA-J