Einecs 267-711-8

tetrasodium;5-acetamido-3-[[4-[4-[(8-acetamido-3,6-disulfonatonaphthalen-2-yl)diazenyl]-3-methoxyphenyl]-2-methoxyphenyl]diazenyl]naphthalene-2,7-disulfonate

Also Known As: 2,7-Naphthalenedisulfonic acid, 3,3'-((3,3'-dimethoxy(1,1'-biphenyl)-4,4'-diyl)bis(2,1-diazenediyl))bis(5-(acetylamino)-4-hydroxy-, sodium salt (1:4)|2,7-Naphthalenedisulfonic acid, 3,3'-((3,3'-dimethoxy(1,1'-biphenyl)-4,4'-diyl)bis(azo))bis(5-(acetylamino)-4-hydroxy-, tetrasodium salt|3,3'-((3,3'-Dimethoxy-(1,1-biphenyl)-4,4'-diyl)bis(azo))bis(5-(acetylamino)-4-hydroxy-2,7-naphthalenedisulfonic acid), tetrasodium salt|Tetrasodium 3,3'-((3,3'-dimethoxy(1,1'-biphenyl)-4,4'-diyl)bis(azo))bis(5-(acetylamino)-4-hydroxynaphthalene-2,7-disulphonate)|tetrasodium 5-acetamido-3-[[4-[4-[(8-acetamido-3,6-disulfonatonaphthalen-2-yl)diazenyl]-3-methoxyphenyl]-2-methoxyphenyl]diazenyl]naphthalene-2,7-disulfonate

Molecular Formula	C38H28N6Na4O16S4
Molecular Weight	1044.0035 g/mol
LogP	-5.9428
Topological Polar Surface Area	388.0 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	20
Rotatable Bonds	9
Exact Mass	1044.0035
Monoisotopic Mass	1044.0035
Heavy Atoms	68
Complexity	1990.0

Chemical Identifiers

CAS Number	67906-44-9
SMILES	CC(=O)NC1=C2C=C(C(=CC2=CC(=C1)S(=O)(=O)[O-])S(=O)(=O)[O-])N=NC3=C(C=C(C=C3)C4=CC(=C(C=C4)N=NC5=CC6=C(C=C(C=C6C=C5S(=O)(=O)[O-])S(=O)(=O)[O-])NC(=O)C)OC)OC.[Na+].[Na+].[Na+].[Na+]
InChIKey	DFZDSKLJWCVSBH-UHFFFAOYSA-J