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Direct yellow 50

CAS No.:
3214-47-9
Catalog Number:
AG003PR1
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG003PR1
Chemical Name:
Direct yellow 50
CAS Number:
3214-47-9
IUPAC Name:
tetrasodium;3-[[4-[[4-[(4,8-disulfonatonaphthalen-2-yl)diazenyl]-3-methylphenyl]carbamoylamino]-2-methylphenyl]diazenyl]naphthalene-1,5-disulfonate
InChI:
InChI=1S/C35H28N6O13S4.4Na/c1-19-13-21(9-11-29(19)40-38-23-15-27-25(33(17-23)57(49,50)51)5-3-7-31(27)55(43,44)45)36-35(42)37-22-10-12-30(20(2)14-22)41-39-24-16-28-26(34(18-24)58(52,53)54)6-4-8-32(28)56(46,47)48;;;;/h3-18H,1-2H3,(H2,36,37,42)(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54);;;;/q;4*+1/p-4
InChI Key:
XRFRTDKENRGSSX-UHFFFAOYSA-J
EC Number:
221-728-7
UNII:
3035X15Y8K
Properties
Complexity:
1790  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
5  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
955.987g/mol
Formal Charge:
0
Heavy Atom Count:
62  
Hydrogen Bond Acceptor Count:
17  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
956.805g/mol
Monoisotopic Mass:
955.987g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
353A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties