disodium 6-[(2,4-dimethyl-6-sulphonatophenyl)azo]-5-hydroxynaphthalene-1-sulphonate - CAS 3257-28-1
Catalog:
BB050381
Product Name:
disodium 6-[(2,4-dimethyl-6-sulphonatophenyl)azo]-5-hydroxynaphthalene-1-sulphonate
CAS:
3257-28-1
Synonyms:
1-Naphthalenesulfonic acid, 6-[2-(2,4-dimethyl-6-sulfophenyl)diazenyl]-5-hydroxy-, sodium salt (1:2)
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BB050381
10 mg
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IUPAC Name: disodium;6-[(2,4-dimethyl-6-sulfonatophenyl)diazenyl]-5-hydroxynaphthalene-1-sulfonate
Description: disodium 6-[(2,4-dimethyl-6-sulphonatophenyl)azo]-5-hydroxynaphthalene-1-sulphonate is a useful research chemical.
Molecular Weight: 480.417
Molecular Formula: C18H14N2Na2O7S2
Canonical SMILES: CC1=CC(=C(C(=C1)S(=O)(=O)[O-])NN=C2C=CC3=C(C2=O)C=CC=C3S(=O)(=O)[O-])C.[Na+].[Na+]
InChI: InChI=1S/C18H16N2O7S2.2Na/c1-10-8-11(2)17(16(9-10)29(25,26)27)20-19-14-7-6-12-13(18(14)21)4-3-5-15(12)28(22,23)24;;/h3-9,20H,1-2H3,(H,22,23,24)(H,25,26,27);;/q;2*+1/p-2
InChI Key: AQJHOKDCKYSJAS-UHFFFAOYSA-L
Purity: 95%
Solubility: water, 1580 mg/L @ 25 °C (est)
Complexity: 792
Compound Is Canonicalized: Yes
Covalently-Bonded Unit Count: 3
Defined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Exact Mass: 480.0037817
Formal Charge: 0
Heavy Atom Count: 31
Hydrogen Bond Acceptor Count: 9
Hydrogen Bond Donor Count: 1
Isotope Atom Count: 0
Monoisotopic Mass: 480.0037817
Rotatable Bond Count: 2
Topological Polar Surface Area: 176
Undefined Atom Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
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