2,7-Naphthalenedisulfonic acid, 3-(2-(3,3'-dimethyl-4'-(2-(4-(((4-methylphenyl)sulfonyl)oxy)phenyl)diazenyl)(1,1'-biphenyl)-4-yl)diazenyl)-4-hydroxy-5-(((4-methylphenyl)sulfonyl)oxy)-, sodium salt (1:2)
Basic information
- CAS
68345-21-1- Standard SMILES
Cc1ccc(S(=O)(=O)Oc2ccc(N=Nc3ccc(-c4ccc(N=Nc5c(S(=O)(=O)[O-])cc6cc(S(=O)(=O)[O-])cc(OS(=O)(=O)c7ccc(C)cc7)c6c5O)c(C)c4)cc3C)cc2)cc1.[Na+].[Na+]- InChIKey
ZRWXOODTQIOLBO-UHFFFAOYSA-L- Molecular formula
- C44H34N4Na2O13S4
- Average molar mass
- 1,001 g/mol
- Monoisotopic mass
- 1,000.08006041
Names & identifiers
- Preferred name
- 2,7-Naphthalenedisulfonic acid, 3-(2-(3,3'-dimethyl-4'-(2-(4-(((4-methylphenyl)sulfonyl)oxy)phenyl)diazenyl)(1,1'-biphenyl)-4-yl)diazenyl)-4-hydroxy-5-(((4-methylphenyl)sulfonyl)oxy)-, sodium salt (1:2)
- IUPAC
- disodium;4-hydroxy-3-[[2-methyl-4-[3-methyl-4-[[4-(4-methylphenyl)sulfonyloxyphenyl]diazenyl]phenyl]phenyl]diazenyl]-5-(4-methylphenyl)sulfonyloxynaphthalene-2,7-disulfonate
- English name
- disodium 3-[[3,3'-dimethyl-4'-[[4-[[(p-tolyl)sulphonyl]oxy]phenyl]azo][1,1'-biphenyl]-4-yl]azo]-4-hydroxy-5-[[(p-tolyl)sulphonyl]oxy]naphthalene-2,7-disulphonate
- Molecular formula
- C44H34N4Na2O13S4
- Molecular weight
- 1000.9993
Names & synonyms
2,7-Naphthalenedisulfonic acid, 3-(2-(3,3'-dimethyl-4'-(2-(4-(((4-methylphenyl)sulfonyl)oxy)phenyl)diazenyl)(1,1'-biphenyl)-4-yl)diazenyl)-4-hydroxy-5-(((4-methylphenyl)sulfonyl)oxy)-, sodium salt (1:2)2,7-Naphthalenedisulfonic acid, 3-[2-[3,3'-dimethyl-4'-[2-[4-[[(4-methylphenyl)sulfonyl]oxy]phenyl]diazenyl][1,1'-biphenyl]-4-yl]diazenyl]-4-hydroxy-5-[[(4-methylphenyl)sulfonyl]oxy]-, sodium salt (1:2)RefChem:44603768345-21-12,7-Naphthalenedisulfonic acid, 3-[[3,3'-dimethyl-4'-[[4-[[(4-methylphenyl)sulfonyl]oxy]phenyl]azo][1,1'-biphenyl]-4-yl]azo]-4-hydroxy-5-[[(4-methylphenyl)sulfonyl]oxy]-, disodium salt2,7-Naphthalenedisulfonic acid, 3-((3,3'-dimethyl-4'-((4-(((4-methylphenyl)sulfonyl)oxy)phenyl)azo)(1,1'-biphenyl)-4-yl)azo)-4-hydroxy-5-(((4-methylphenyl)sulfonyl)oxy)-, disodium saltEINECS 269-849-4DTXSID7071440LIXRGKISFONYLM-WMGYZKKPSA-LL3R775W396NS00060070Disodium 3-((3,3'-dimethyl-4'-((4-(((p-tolyl)sulphonyl)oxy)phenyl)azo)(1,1'-biphenyl)-4-yl)azo)-4-hydroxy-5-(((p-tolyl)sulphonyl)oxy)naphthalene-2,7-disulphonate
Properties
Computed structural properties
- Topological polar surface area
- 304 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 17
- Rotatable bonds
- 11
- Heavy atoms
- 67
- Formal charge
- 0
- Complexity
- 2,070
Physicochemical properties
- EPA Substance Registry System
- 2 · 2,7-Naphthalenedisulfonic acid, 3-[[3,3'-dimethyl-4'-[[4-[[(4-methylphenyl)sulfonyl]oxy]phenyl]azo][1,1'-biphenyl]-4-yl]azo]-4-hydroxy-5-[[(4-methylphenyl)sulfonyl]oxy]-, disodium salt (68345-21-1)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2,7-Naphthalenedisulfonic acid, 3-[2-[3,3'-dimethyl-4'-[2-[4-[[(4-methylphenyl)sulfonyl]oxy]phenyl]diazenyl][1,1'-biphenyl]-4-yl]diazenyl]-4-hydroxy-5-[[(4-methylphenyl)sulfonyl]oxy]-, sodium salt (1:2): INACTIVE
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Compound notes
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