CTK5D5630

pentasodium;5-[[2,4-dihydroxy-5-[[4-(6-methyl-1,3-benzothiazol-2-yl)-3-sulfonatophenyl]diazenyl]phenyl]diazenyl]-4-hydroxy-3-[[3-sulfonato-4-[(4-sulfonatophenyl)diazenyl]phenyl]diazenyl]naphthalene-2,7-disulfonate

Also Known As: 2,7-Naphthalenedisulfonicacid,5-[2-[2,4-dihydroxy-5-[2-[4-(6-methyl-2-benzothiazolyl)-3-sulfophenyl]diazenyl]phenyl]diazenyl]-4-hydroxy-3-[2-[3-sulfo-4-[2-(4-sulfophenyl)diazenyl]phenyl]diazenyl]-,sodium salt (1:5)|Pentasodium 5-((2,4-dihydroxy-5-((4-(6-methylbenzothiazol-2-yl)-3-sulphonatophenyl)azo)phenyl)azo)-4-hydroxy-3-((3-sulphonato-4-((4-sulphonatophenyl)azo)phenyl)azo)naphthalene-2,7-disulphonate|2,7-Naphthalenedisulfonic acid, 5-((2,4-dihydroxy-5-((4-(6-methyl-2-benzothiazolyl)-3-sulfophenyl)azo)phenyl)azo)-4-hydroxy-3-((3-sulfo-4-((4-sulfophenyl)azo)phenyl)azo)-, pentasodium salt|2,7-Naphthalenedisulfonic acid, 5-(2-(2,4-dihydroxy-5-(2-(4-(6-methyl-2-benzothiazolyl)-3-sulfophenyl)diazenyl)phenyl)diazenyl)-4-hydroxy-3-(2-(3-sulfo-4-(2-(4-sulfophenyl)diazenyl)phenyl)diazenyl)-, sodium salt (1:5)|5-[2-[2,4-Dihydroxy-5-[2-[4-(6-methyl-2-benzothiazolyl)-3-sulfophenyl]diazenyl]phenyl]diazenyl]-4-hydroxy-3-[2-[3-sulfo-4-[2-(4-sulfophenyl)diazenyl]phenyl]diazenyl]-2,7-naphthalenedisulfonic acid sodium (1:5)|pentasodium5-[[2,4-dihydroxy-5-[[4- -3-sulphonatophenyl]azo]phenyl]azo]-4-hydroxy-3-[[3-sulphonato-4-[ azo]phenyl]azo]naphthalene-2,7-disulphonate

Molecular Formula	C42H24N9Na5O18S6
Molecular Weight	1248.9052 g/mol
LogP	-6.25618
Topological Polar Surface Area	529.0 Ų
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	28
Rotatable Bonds	9
Exact Mass	1248.9052
Monoisotopic Mass	1248.9052
Heavy Atoms	80
Complexity	2640.0

Chemical Identifiers

CAS Number	72152-65-9
SMILES	CC1=CC2=C(C=C1)N=C(S2)C3=C(C=C(C=C3)N=NC4=CC(=C(C=C4O)O)N=NC5=C6C(=CC(=C5)S(=O)(=O)[O-])C=C(C(=C6O)N=NC7=CC(=C(C=C7)N=NC8=CC=C(C=C8)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+]
InChIKey	NLKWMNQDZZJOEB-UHFFFAOYSA-I