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72986-60-8 | 2-Naphthalenesulfonicacid,5-[2-[4-[(4-nitro-2-sulfophenyl)amino]phenyl]diazenyl]-8-[2-[4-[(phenylsulfonyl)oxy]phenyl]diazenyl]-,sodium salt (1:2)
CAS No: 72986-60-8 Catalog No: AG005CZ2 MDL No:
Product Description
Catalog Number:
AG005CZ2
Chemical Name:
2-Naphthalenesulfonicacid,5-[2-[4-[(4-nitro-2-sulfophenyl)amino]phenyl]diazenyl]-8-[2-[4-[(phenylsulfonyl)oxy]phenyl]diazenyl]-,sodium salt (1:2)
CAS Number:
72986-60-8
Molecular Formula:
C34H22N6Na2O11S3
Molecular Weight:
832.7466
IUPAC Name:
disodium;8-[[4-(benzenesulfonyloxy)phenyl]diazenyl]-5-[[4-(4-nitro-2-sulfonatoanilino)phenyl]diazenyl]naphthalene-2-sulfonate
InChI:
InChI=1S/C34H24N6O11S3.2Na/c41-40(42)25-12-17-33(34(20-25)53(46,47)48)35-22-6-8-23(9-7-22)36-38-31-18-19-32(30-21-28(52(43,44)45)15-16-29(30)31)39-37-24-10-13-26(14-11-24)51-54(49,50)27-4-2-1-3-5-27;;/h1-21,35H,(H,43,44,45)(H,46,47,48);;/q;2*+1/p-2
InChI Key:
AIFUCUFOMJAMEJ-UHFFFAOYSA-L
SMILES:
[O-][N+](=O)c1ccc(c(c1)S(=O)(=O)[O-])Nc1ccc(cc1)/N=N/c1ccc(c2c1ccc(c2)S(=O)(=O)[O-])/N=N/c1ccc(cc1)OS(=O)(=O)c1ccccc1.[Na+].[Na+]
EC Number:
277-176-2
Properties
Complexity:
1630
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
832.03g/mol
Formal Charge:
0
Heavy Atom Count:
56
Hydrogen Bond Acceptor Count:
16
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
832.741g/mol
Monoisotopic Mass:
832.03g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
290A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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