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10115-25-0 | 1-Naphthalenesulfonic acid, 4-[2-[4-[2-(2,4-diaminophenyl)diazenyl]-1-naphthalenyl]diazenyl]-, sodium salt (1:1)
CAS No: 10115-25-0 Catalog No: AG0003UK MDL No:
Product Description
Catalog Number:
AG0003UK
Chemical Name:
1-Naphthalenesulfonic acid, 4-[2-[4-[2-(2,4-diaminophenyl)diazenyl]-1-naphthalenyl]diazenyl]-, sodium salt (1:1)
CAS Number:
10115-25-0
Molecular Formula:
C26H19N6NaO3S
Molecular Weight:
518.5222
IUPAC Name:
sodium;4-[[4-[(2,4-diaminophenyl)diazenyl]naphthalen-1-yl]diazenyl]naphthalene-1-sulfonate
InChI:
InChI=1S/C26H20N6O3S.Na/c27-16-9-10-25(21(28)15-16)32-31-23-12-11-22(17-5-1-2-6-18(17)23)29-30-24-13-14-26(36(33,34)35)20-8-4-3-7-19(20)24;/h1-15H,27-28H2,(H,33,34,35);/q;+1/p-1
InChI Key:
REXKKXDFCFPBRE-UHFFFAOYSA-M
SMILES:
Nc1ccc(c(c1)N)N=Nc1ccc(c2c1cccc2)N=Nc1ccc(c2c1cccc2)S(=O)(=O)[O-].[Na+]
EC Number:
233-318-5
Properties
Complexity:
915
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
518.114g/mol
Formal Charge:
0
Heavy Atom Count:
37
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
518.527g/mol
Monoisotopic Mass:
518.114g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
167A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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