Basic information
- CAS
72828-83-2- Standard SMILES
O=C(Nc1cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c(N=Nc3ccccc3Oc3ccccc3C3CCCCC3)c(O)c12)c1ccccc1.[Na+].[Na+]- InChIKey
KQTYMFGDOQCFRT-UHFFFAOYSA-L- Molecular formula
- C35H29N3Na2O9S2
- Average molar mass
- 745.7 g/mol
- Monoisotopic mass
- 745.11406042
Names & identifiers
- Preferred name
- 2,7-naphthalenedisulfonic acid, 5-(benzoylamino)-3-((2-(2-cyclohexylphenoxy)phenyl)azo)-4-hydroxy-, disodium salt
- IUPAC
- disodium;5-benzamido-3-[[2-(2-cyclohexylphenoxy)phenyl]diazenyl]-4-hydroxynaphthalene-2,7-disulfonate
- English name
- disodium 5-(benzoylamino)-3-[[2-(2-cyclohexylphenoxy)phenyl]azo]-4-hydroxynaphthalene-2,7-disulphonate
- Molecular formula
- C35H29N3Na2O9S2
- Molecular weight
- 745.729
Names & synonyms
EINECS 276-890-117S7Z9OU85Disodium 5-(benzoylamino)-3-((2-(2-cyclohexylphenoxy)phenyl)azo)-4-hydroxynaphthalene-2,7-disulfonate2,7-Naphthalenedisulfonic acid, 5-(benzoylamino)-3-((2-(2-cyclohexylphenoxy)phenyl)azo)-4-hydroxy-, disodium salt2,7-Naphthalenedisulfonic acid, 5-(benzoylamino)-3-(2-(2-(2-cyclohexylphenoxy)phenyl)diazenyl)-4-hydroxy-, sodium salt (1:2)3-((2-(2-Cyclohexylphenoxy)phenyl)azo)-4-hydroxy-5-benzamidonaphthalene-2,7-disulfonic acid, sodium saltJ318.846I2,7-Naphthalenedisulfonic acid, 5-(benzoylamino)-3-[[2-(2-cyclohexylphenoxy)phenyl]azo]-4-hydroxy-, disodium salt5-(BENZOYLAMINO)-3-((2-(2-CYCLOHEXYLPHENOXY)PHENYL)AZO)-4-HYDROXY-2,7-NAPHTHALENEDISULFONIC ACID DISODIUM SALT2,7-Naphthalenedisulfonic acid, 5-(benzoylamino)-3-[2-[2-(2-cyclohexylphenoxy)phenyl]diazenyl]-4-hydroxy-, sodium salt (1:2)RefChem:4463762,7-Naphthalenedisulfonic acid, 5-(benzoylamino)-3-2-(2-cyclohexylphenoxy)phenylazo-4-hydroxy-, disodium salt
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Properties
Computed structural properties
- Topological polar surface area
- 214 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 7
- Heavy atoms
- 51
- Formal charge
- 0
- Complexity
- 1,330
Physicochemical properties
- FDA UNII
- 17 S7Z9OU85 · 17S7Z9OU85
- EPA Substance Registry System
- 2 · 2,7-Naphthalenedisulfonic acid, 5-(benzoylamino)-3-[[2-(2-cyclohexylphenoxy)phenyl]azo]-4-hydroxy-, disodium salt (72828-83-2)
- 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
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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