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83006-59-1 | 1-Naphthalenesulfonicacid, 5-[2-(1-naphthalenyl)diazenyl]-8-(phenylamino)-, ammonium salt (1:1)
CAS No: 83006-59-1 Catalog No: AG0053RC MDL No:
Product Description
Catalog Number:
AG0053RC
Chemical Name:
1-Naphthalenesulfonicacid, 5-[2-(1-naphthalenyl)diazenyl]-8-(phenylamino)-, ammonium salt (1:1)
CAS Number:
83006-59-1
Molecular Formula:
C26H22N4O3S
Molecular Weight:
470.5429
IUPAC Name:
azanium;8-anilino-5-(naphthalen-1-yldiazenyl)naphthalene-1-sulfonate
InChI:
InChI=1S/C26H19N3O3S.H3N/c30-33(31,32)25-15-7-13-21-23(16-17-24(26(21)25)27-19-10-2-1-3-11-19)29-28-22-14-6-9-18-8-4-5-12-20(18)22;/h1-17,27H,(H,30,31,32);1H3
InChI Key:
GJQRDENWLGOROV-UHFFFAOYSA-N
SMILES:
[O-]S(=O)(=O)c1cccc2c1c(ccc2N=Nc1cccc2c1cccc2)Nc1ccccc1.[NH4+]
EC Number:
280-108-4
Properties
Complexity:
763
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
470.141g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
470.547g/mol
Monoisotopic Mass:
470.141g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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