RefChem:83457

trisodium;4-[[4-[4-[(6-anilino-1-hydroxy-3-sulfonatonaphthalen-2-yl)diazenyl]-3-methoxyphenyl]-2-methoxyphenyl]diazenyl]-3-hydroxynaphthalene-2,7-disulfonate

Also Known As: 2,7-Naphthalenedisulfonic acid, 3-hydroxy-4-((4'-((1-hydroxy-6-(phenylamino)-3-sulfo-2-naphthalenyl)azo)-3,3'-dimethoxy(1,1'-biphenyl)-4-yl)azo)-, trisodium salt|2,7-Naphthalenedisulfonic acid, 3-hydroxy-4-(2-(4'-(2-(1-hydroxy-6-(phenylamino)-3-sulfo-2-naphthalenyl)diazenyl)-3,3'-dimethoxy(1,1'-biphenyl)-4-yl)diazenyl)-, sodium salt (1:3)|2,7-Naphthalenedisulfonic acid, 3-hydroxy-4-[2-[4'-[2-[1-hydroxy-6-(phenylamino)-3-sulfo-2-naphthalenyl]diazenyl]-3,3'-dimethoxy[1,1'-biphenyl]-4-yl]diazenyl]-, sodium salt (1:3)|2,7-Naphthalenedisulfonic acid, 3-hydroxy-4-[[4'-[[1-hydroxy-6-(phenylamino)-3-sulfo-2-naphthalenyl]azo]-3,3'-dimethoxy[1,1'-biphenyl]-4-yl]azo]-, trisodium salt|Trisodium 4-({4'-[(6-anilino-1-hydroxy-3-sulfonatonaphthalen-2-yl)diazenyl]-3,3'-dimethoxy[1,1'-biphenyl]-4-yl}diazenyl)-3-hydroxynaphthalene-2,7-disulfonate

Molecular Formula	C40H28N5Na3O13S3
Molecular Weight	951.0539 g/mol
LogP	-0.61
Topological Polar Surface Area	291.99 Ų
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	18
Rotatable Bonds	12
Exact Mass	951.0539
Heavy Atoms	64
Complexity	3326.9

Chemical Identifiers

CAS Number	68084-25-3
SMILES	COC1=C(C=CC(=C1)C2=CC(=C(C=C2)N=NC3=C(C=C4C=C(C=CC4=C3O)NC5=CC=CC=C5)S(=O)(=O)[O-])OC)N=NC6=C7C=CC(=CC7=CC(=C6O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]