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83562-69-0 | 2-Naphthalenesulfonicacid, 6-amino-4-hydroxy-3-[2-[4-[2-(4-sulfophenyl)diazenyl]phenyl]diazenyl]-,sodium salt (1:2)
CAS No: 83562-69-0 Catalog No: AG004ZAW MDL No:
Product Description
Catalog Number:
AG004ZAW
Chemical Name:
2-Naphthalenesulfonicacid, 6-amino-4-hydroxy-3-[2-[4-[2-(4-sulfophenyl)diazenyl]phenyl]diazenyl]-,sodium salt (1:2)
CAS Number:
83562-69-0
Molecular Formula:
C22H15N5Na2O7S2
Molecular Weight:
571.4933
IUPAC Name:
disodium;6-amino-4-hydroxy-3-[[4-[(4-sulfonatophenyl)diazenyl]phenyl]diazenyl]naphthalene-2-sulfonate
InChI:
InChI=1S/C22H17N5O7S2.2Na/c23-14-2-1-13-11-20(36(32,33)34)21(22(28)19(13)12-14)27-26-16-5-3-15(4-6-16)24-25-17-7-9-18(10-8-17)35(29,30)31;;/h1-12,28H,23H2,(H,29,30,31)(H,32,33,34);;/q;2*+1/p-2
InChI Key:
LPQMMPOQYQCZNV-UHFFFAOYSA-L
SMILES:
Nc1ccc2c(c1)c(O)c(c(c2)S(=O)(=O)[O-])N=Nc1ccc(cc1)N=Nc1ccc(cc1)S(=O)(=O)[O-].[Na+].[Na+]
EC Number:
280-481-3
Properties
Complexity:
984
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
571.021g/mol
Formal Charge:
0
Heavy Atom Count:
38
Hydrogen Bond Acceptor Count:
12
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
571.49g/mol
Monoisotopic Mass:
571.021g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
227A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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