3101-60-8 Purity
96%
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Specification
The molecular formula is C10H5NNa2O8S2.
The synonyms include Nitroso-R salt, Sodium 3-hydroxy-4-nitrosonaphthalene-2,7-disulfonate, Disodium 1-nitroso-2-naphthol-3,6-disulfonate, and more.
The CAS number is 525-05-3.
The IUPAC name is disodium;3-hydroxy-4-nitrosonaphthalene-2,7-disulfonate.
The InChI is InChI=1S/C10H7NO8S2.2Na/c12-10-8(21(17,18)19)4-5-3-6(20(14,15)16)1-2-7(5)9(10)11-13;;/h1-4,12H,(H,14,15,16)(H,17,18,19);;/q;2*+1/p-2.
The InChIKey is DMKMTGULLYISBH-UHFFFAOYSA-L.
The canonical SMILES is C1=CC2=C(C(=C(C=C2C=C1S(=O)(=O)[O-])S(=O)(=O)[O-])O)N=O.[Na+].[Na+].
The molecular weight is 377.3g/mol.
There is one hydrogen bond donor count.
There are nine hydrogen bond acceptor counts.