EINECS 287-728-4

trisodium;4-benzamido-5-hydroxy-6-[[4-(2-sulfonatooxyethylsulfonyl)phenyl]diazenyl]naphthalene-1,7-disulfonate

Also Known As: 1,7-Naphthalenedisulfonic acid, 4-(benzoylamino)-5-hydroxy-6-((4-((2-(sulfooxy)ethyl)sulfonyl)phenyl)azo)-, sodium salt|1,7-Naphthalenedisulfonic acid, 4-(benzoylamino)-5-hydroxy-6-(2-(4-((2-(sulfooxy)ethyl)sulfonyl)phenyl)diazenyl)-, sodium salt (1:?)|1,7-Naphthalenedisulfonic acid, 4-(benzoylamino)-5-hydroxy-6-[[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]azo]-, sodium salt|1,7-Naphthalenedisulfonic acid, 4-(benzoylamino)-5-hydroxy- 6-[[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]azo]- , sodium salt|4-(Benzoylamino)-5-hydroxy-6-((4-((2-(sulphooxy)ethyl)sulphonyl)phenyl)azo)naphthalene-1,7-disulphonic acid, sodium salt|4-(benzoylamino)-5-hydroxy-6-[[4-[[2-(sulphooxy)ethyl]sulphonyl]phenyl]azo]naphthalene-1,7-disulphonic acid, sodium salt

Molecular Formula	C25H18N3Na3O14S4
Molecular Weight	780.93646 g/mol
LogP	-6.7162
Topological Polar Surface Area	323.0 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	16
Rotatable Bonds	8
Exact Mass	780.93646
Monoisotopic Mass	780.93646
Heavy Atoms	49
Complexity	1490.0

Chemical Identifiers

CAS Number	85567-16-4
SMILES	C1=CC=C(C=C1)C(=O)NC2=C3C(=C(C=C2)S(=O)(=O)[O-])C=C(C(=C3O)N=NC4=CC=C(C=C4)S(=O)(=O)CCOS(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]
InChIKey	GHSCBOMGKPGSRI-UHFFFAOYSA-K