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16386-21-3 | Benzenesulfonic acid, 4,4'-[(4,6-diamino-1,3-phenylene)bis(azo)]bis-, disodium salt (9CI)
CAS No: 16386-21-3 Catalog No: AG001UG9 MDL No:
Product Description
Catalog Number:
AG001UG9
Chemical Name:
Benzenesulfonic acid, 4,4'-[(4,6-diamino-1,3-phenylene)bis(azo)]bis-, disodium salt (9CI)
CAS Number:
16386-21-3
Molecular Formula:
C18H14N6Na2O6S2
Molecular Weight:
520.4499
IUPAC Name:
disodium;4-[[2,4-diamino-5-[(4-sulfonatophenyl)diazenyl]phenyl]diazenyl]benzenesulfonate
InChI:
InChI=1S/C18H16N6O6S2.2Na/c19-15-9-16(20)18(24-22-12-3-7-14(8-4-12)32(28,29)30)10-17(15)23-21-11-1-5-13(6-2-11)31(25,26)27;;/h1-10H,19-20H2,(H,25,26,27)(H,28,29,30);;/q;2*+1/p-2
InChI Key:
DMWRQJGVKMKHJS-UHFFFAOYSA-L
SMILES:
Nc1cc(N)c(cc1N=Nc1ccc(cc1)S(=O)(=O)[O-])N=Nc1ccc(cc1)S(=O)(=O)[O-].[Na+].[Na+]
EC Number:
240-435-5
UNII:
UUJ85W3VQ4
Properties
Complexity:
785
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
520.021g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
12
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
520.446g/mol
Monoisotopic Mass:
520.021g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
233A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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