Direct Blue 81

tetrasodium;4-[[4-[[4-[(2Z)-2-(6-anilino-1-oxo-3-sulfonatonaphthalen-2-ylidene)hydrazinyl]-6-sulfonatonaphthalen-1-yl]diazenyl]naphthalen-1-yl]diazenyl]-5-hydroxynaphthalene-2,7-disulfonate

Also Known As: Direct Blue 81|EINECS 228-374-2|C.I. Direct Blue 81, tetrasodium salt|2,7-Naphthalenedisulfonic acid, 4-hydroxy-5-[[4-[[4-[[1-hydroxy-6-(phenylamino)-3-sulfo-2-naphthalenyl]azo]-6-sulfo-1-naphthalenyl]azo]-1-naphthalenyl]azo]-, tetrasodium salt|Tetrasodium 4-hydroxy-5-((4-((4-((1-hydroxy-6-(phenylamino)-3-sulphonato-2-naphthyl)azo)-6-sulphonatonaphthyl)azo)naphthyl)azo)naphthalene-2,7-disulphonate|Tetrasodium 4-hydroxy-5-[[4-[[4-[[1-hydroxy-6-(phenylamino)-3-sulphonato-2-naphthyl]azo]-6-sulphonatonaphthyl]azo]naphthyl]azo]naphthalene-2,7-disulphonate

Molecular Formula	C46H27N7Na4O14S4
Molecular Weight	1121.0089 g/mol
LogP	-3.295
Topological Polar Surface Area	351.96 Ų
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	21
Rotatable Bonds	12
Exact Mass	1121.0089
Monoisotopic Mass	1121.0089
Heavy Atoms	75
Complexity	4223.2114

Chemical Identifiers

CAS Number	6252-57-9
SMILES	C1=CC=C(C=C1)NC2=CC3=C(C=C2)C(=O)/C(=N/NC4=C5C=C(C=CC5=C(C=C4)N=NC6=CC=C(C7=CC=CC=C76)N=NC8=C9C(=CC(=C8)S(=O)(=O)[O-])C=C(C=C9O)S(=O)(=O)[O-])S(=O)(=O)[O-])/C(=C3)S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]