Direct Brown 59
(3Z)-3-[[4-[4-[(2E)-2-(7-anilino-1-oxo-3-sulfonaphthalen-2-ylidene)hydrazinyl]phenyl]phenyl]hydrazinylidene]-6-oxocyclohexa-1,4-diene-1-carboxylic acid
Also Known As: Direct Brown 59|Direct Fast Brown B|EINECS 222-450-9|C.I. Direct Brown 59, disodium salt|Benzoic acid, 2-hydroxy-5-((4'-((1-hydroxy-7-(phenylamino)-3-sulfo-2-naphthalenyl)azo)(1,1'-biphenyl)-4-yl)azo)-, disodium salt|Benzoic acid, 2-hydroxy-5-[[4'-[[1-hydroxy-7-(phenylamino)-3-sulfo-2-naphthalenyl]azo][1,1'-biphenyl]-4-yl]azo]-, disodium salt|Disodium 5-((4'-((1-hydroxy-7-(phenylamino)-3-sulphonato-2-naphthyl)azo)(1,1'-biphenyl)-4-yl)azo)salicylate|Disodium 5-[[4'-[[1-hydroxy-7-(phenylamino)-3-sulphonato-2-naphthyl]azo][1,1'-biphenyl]-4-yl]azo]salicylate
| Molecular Formula | C35H25N5O7S |
|---|---|
| Molecular Weight | 659.14746 g/mol |
| LogP | 5.9081 |
| Topological Polar Surface Area | 186.62 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 9 |
| Exact Mass | 659.14746 |
| Monoisotopic Mass | 659.14746 |
| Heavy Atoms | 48 |
| Complexity | 2221.0793 |
Chemical Identifiers
| CAS Number | 3476-90-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC2=CC3=C(C=C2)C=C(/C(=N/NC4=CC=C(C=C4)C5=CC=C(C=C5)N/N=C\6/C=CC(=O)C(=C6)C(=O)O)/C3=O)S(=O)(=O)O |
Product Overview
Direct Brown 59 (CAS 3476-90-2), with molecular formula C35H25N5O7S and molecular weight 659.14746 g/mol. IUPAC: (3Z)-3-[[4-[4-[(2E)-2-(7-anilino-1-oxo-3-sulfonaphthalen-2-ylidene)hydrazinyl]phenyl]phenyl]hydrazinylidene]-6-oxocyclohexa-1,4-diene-1-carboxylic acid.