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83721-57-7 | 2-Naphthalenesulfonicacid, 6-amino-4-hydroxy-5-[2-(4-nitro-2-sulfophenyl)diazenyl]-, ammonium sodiumsalt (1:?:?)
CAS No: 83721-57-7 Catalog No: AG005602 MDL No:
Product Description
Catalog Number:
AG005602
Chemical Name:
2-Naphthalenesulfonicacid, 6-amino-4-hydroxy-5-[2-(4-nitro-2-sulfophenyl)diazenyl]-, ammonium sodiumsalt (1:?:?)
CAS Number:
83721-57-7
Molecular Formula:
C16H14N5NaO9S2
Molecular Weight:
507.4302
IUPAC Name:
azanium;sodium;6-amino-4-hydroxy-5-[(4-nitro-2-sulfonatophenyl)diazenyl]naphthalene-2-sulfonate
InChI:
InChI=1S/C16H12N4O9S2.H3N.Na/c17-11-3-1-8-5-10(30(24,25)26)7-13(21)15(8)16(11)19-18-12-4-2-9(20(22)23)6-14(12)31(27,28)29;;/h1-7,21H,17H2,(H,24,25,26)(H,27,28,29);1H3;/q;;+1/p-1
InChI Key:
SIKPXUBISMHSBC-UHFFFAOYSA-M
SMILES:
Nc1ccc2c(c1N=Nc1ccc(cc1S(=O)(=O)[O-])[N+](=O)[O-])c(O)cc(c2)S(=O)(=O)[O-].[Na+].[NH4+]
EC Number:
280-583-8
Properties
Complexity:
882
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
507.013g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
12
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
507.424g/mol
Monoisotopic Mass:
507.013g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
249A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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