Basic information
- CAS
72749-84-9- Standard SMILES
CCOc1cc(N=Nc2ccc(NC(=O)c3ccccc3)cc2S(=O)(=O)[O-])c2cc(S(=O)(=O)[O-])ccc2c1N=Nc1c(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])cc(NC(=O)c3ccccc3)c2c1O.[Na+].[Na+].[Na+].[Na+]- InChIKey
KRYUDSCWXSQLCB-UHFFFAOYSA-J- Molecular formula
- C42H28N6Na4O16S4
- Average molar mass
- 1,092.9 g/mol
- Monoisotopic mass
- 1,092.0035406
Names & identifiers
- Preferred name
- 2,7-Naphthalenedisulfonic acid, 5-(benzoylamino)-3-(2-(4-(2-(4-(benzoylamino)-2-sulfophenyl)diazenyl)-2-ethoxy-6-sulfo-1-naphthalenyl)diazenyl)-4-hydroxy-, sodium salt (1:4)
- IUPAC
- tetrasodium;5-benzamido-3-[[4-[(4-benzamido-2-sulfonatophenyl)diazenyl]-2-ethoxy-6-sulfonatonaphthalen-1-yl]diazenyl]-4-hydroxynaphthalene-2,7-disulfonate
- English name
- tetrasodium 5-(benzoylamino)-3-[[4-[[4-(benzoylamino)-2-sulphonatophenyl]azo]-2-ethoxy-6-sulphonato-1-naphthyl]azo]-4-hydroxynaphthalene-2,7-disulphonate
- Molecular formula
- C42H33N6NaO16S4
- Molecular weight
- 1028.98
Names & synonyms
72749-84-9DTXSID60890247EINECS 276-819-42,7-Naphthalenedisulfonic acid, 5-(benzoylamino)-3-((4-((4-(benzoylamino)-2-sulfophenyl)azo)-2-ethoxy-6-sulfo-1-naphthalenyl)azo)-4-hydroxy-, tetrasodium salt2,7-Naphthalenedisulfonic acid, 5-(benzoylamino)-3-(2-(4-(2-(4-(benzoylamino)-2-sulfophenyl)diazenyl)-2-ethoxy-6-sulfo-1-naphthalenyl)diazenyl)-4-hydroxy-, sodium salt (1:4)2,7-Naphthalenedisulfonic acid, 5-(benzoylamino)-3-[2-[4-[2-[4-(benzoylamino)-2-sulfophenyl]diazenyl]-2-ethoxy-6-sulfo-1-naphthalenyl]diazenyl]-4-hydroxy-, sodium salt (1:4)6-Ethoxy-5-((5-benzoylamino-2,7-disulfo-4-hydroxy-3-naphthyl)azo)-8-((4-(benzoylamino)-2-sulfophenyl)azo)-2-naphthalenesulfonic acid, tetrasodium salt2,7-Naphthalenedisulfonic acid, 5-(benzoylamino)-3-[[4-[[4-(benzoylamino)-2-sulfophenyl]azo]-2-ethoxy-6-sulfo-1-naphthalenyl]azo]-4-hydroxy-, tetrasodium saltRefChem:83541DTXCID601079185Tetrasodium 5-(benzoylamino)-3-((4-((4-(benzoylamino)-2-sulphonatophenyl)azo)-2-ethoxy-6-sulphonato-1-naphthyl)azo)-4-hydroxynaphthalene-2,7-disulphonate
Properties
Computed structural properties
- Topological polar surface area
- 399 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 20
- Rotatable bonds
- 10
- Heavy atoms
- 72
- Formal charge
- 0
- Complexity
- 2,240
Physicochemical properties
- EPA Substance Registry System
- 2 · 2,7-Naphthalenedisulfonic acid, 5-(benzoylamino)-3-[[4-[[4-(benzoylamino)-2-sulfophenyl]azo]-2-ethoxy-6-sulfo-1-naphthalenyl]azo]-4-hydroxy-, tetrasodium salt (72749-84-9)
- 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, 5-(benzoylamino)-3-[2-[4-[2-[4-(benzoylamino)-2-sulfophenyl]diazenyl]-2-ethoxy-6-sulfo-1-naphthalenyl]diazenyl]-4-hydroxy-, sodium salt (1:4): INACTIVE
Related reactions
0 records
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Compound notes
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