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84215-48-5 | 2,7-Naphthalenedisulfonicacid, 4,5-dihydroxy-3-[2-[2-[(hydroxyarsinyl)oxy]phenyl]diazenyl]-, sodium salt(1:2)
CAS No: 84215-48-5 Catalog No: AG004OPK MDL No:
Product Description
Catalog Number:
AG004OPK
Chemical Name:
2,7-Naphthalenedisulfonicacid, 4,5-dihydroxy-3-[2-[2-[(hydroxyarsinyl)oxy]phenyl]diazenyl]-, sodium salt(1:2)
CAS Number:
84215-48-5
Molecular Formula:
C16H11AsN2Na2O11S2
Molecular Weight:
592.2965
IUPAC Name:
disodium;3-[(2-dihydroxyarsanyloxyphenyl)diazenyl]-4,5-dihydroxynaphthalene-2,7-disulfonate
InChI:
InChI=1S/C16H13AsN2O11S2.2Na/c20-11-7-9(31(24,25)26)5-8-6-13(32(27,28)29)15(16(21)14(8)11)19-18-10-3-1-2-4-12(10)30-17(22)23;;/h1-7,20-23H,(H,24,25,26)(H,27,28,29);;/q;2*+1/p-2
InChI Key:
QTNQKUWSUFYUBN-UHFFFAOYSA-L
SMILES:
O[As](Oc1ccccc1N=Nc1c(O)c2c(O)cc(cc2cc1S(=O)(=O)[O-])S(=O)(=O)[O-])O.[Na+].[Na+]
EC Number:
282-454-1
Properties
Complexity:
862
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
591.882g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
13
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
592.288g/mol
Monoisotopic Mass:
591.882g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
246A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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