RefChem:83554

trisodium;5-amino-4-hydroxy-3-[[4-[4-[(1-hydroxy-4-sulfonatonaphthalen-2-yl)diazenyl]-3-methoxyphenyl]-2-methoxyphenyl]diazenyl]naphthalene-2,7-disulfonate

Also Known As: 2,7-Naphthalenedisulfonic acid, 5-amino-4-hydroxy-3-((4'-((1-hydroxy-4-sulfo-2-naphthalenyl)azo)-3,3'-dimethoxy(1,1'-biphenyl)-4-yl)azo)-, trisodium salt|2,7-Naphthalenedisulfonic acid, 5-amino-4-hydroxy-3-(2-(4'-(2-(1-hydroxy-4-sulfo-2-naphthalenyl)diazenyl)-3,3'-dimethoxy(1,1'-biphenyl)-4-yl)diazenyl)-, sodium salt (1:3)|2,7-Naphthalenedisulfonic acid, 5-amino-4-hydroxy-3-[2-[4'-[2-(1-hydroxy-4-sulfo-2-naphthalenyl)diazenyl]-3,3'-dimethoxy[1,1'-biphenyl]-4-yl]diazenyl]-, sodium salt (1:3)|2,7-Naphthalenedisulfonic acid, 5-amino-4-hydroxy-3-[[4'-[(1-hydroxy-4-sulfo-2-naphthalenyl)azo]-3,3'-dimethoxy[1,1'-biphenyl]-4-yl]azo]-, trisodium salt|Trisodium 5-amino-4-hydroxy-3-({4'-[(1-hydroxy-4-sulfonatonaphthalen-2-yl)diazenyl]-3,3'-dimethoxy[1,1'-biphenyl]-4-yl}diazenyl)naphthalene-2,7-disulfonate|trisodium,(3Z)-5-amino-3-[[2-methoxy-4-[3-methoxy-4-[(2Z)-2-(1-oxo-4-sulfonatonaphthalen-2-ylidene)hydrazinyl]phenyl]phenyl]hydrazinylidene]-4-oxonaphthalene-2,7-disulfonate

Molecular Formula	C34H24N5Na3O13S3
Molecular Weight	875.0226 g/mol
LogP	-2.7743
Topological Polar Surface Area	331.0 Ų
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	18
Rotatable Bonds	7
Exact Mass	875.0226
Monoisotopic Mass	875.0226
Heavy Atoms	58
Complexity	1680.0

Chemical Identifiers

CAS Number	75673-20-0
SMILES	COC1=C(C=CC(=C1)C2=CC(=C(C=C2)N=NC3=C(C4=C(C=C(C=C4C=C3S(=O)(=O)[O-])S(=O)(=O)[O-])N)O)OC)N=NC5=C(C6=CC=CC=C6C(=C5)S(=O)(=O)[O-])O.[Na+].[Na+].[Na+]
InChIKey	WPGYRLJUTHDDKU-UHFFFAOYSA-K