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Fluorescent brightener 71

CAS No.:
16090-02-1
Catalog Number:
AG00HYMG
Molecular Formula:
C40H38N12Na2O8S2
Molecular Weight:
924.9149
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
In Stock USA
United States
$61
- +
5g
In Stock USA
United States
$165
- +
25g
In Stock USA
United States
$603
- +
Product Description
Catalog Number:
AG00HYMG
Chemical Name:
Fluorescent brightener 71
CAS Number:
16090-02-1
Molecular Formula:
C40H38N12Na2O8S2
Molecular Weight:
924.9149
MDL Number:
MFCD00071913
IUPAC Name:
disodium;5-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-2-[(E)-2-[4-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate
InChI:
InChI=1S/C40H40N12O8S2.2Na/c53-61(54,55)33-25-31(43-37-45-35(41-29-7-3-1-4-8-29)47-39(49-37)51-17-21-59-22-18-51)15-13-27(33)11-12-28-14-16-32(26-34(28)62(56,57)58)44-38-46-36(42-30-9-5-2-6-10-30)48-40(50-38)52-19-23-60-24-20-52;;/h1-16,25-26H,17-24H2,(H,53,54,55)(H,56,57,58)(H2,41,43,45,47,49)(H2,42,44,46,48,50);;/q;2*+1/p-2/b12-11+;;
InChI Key:
VUJGKADZTYCLIL-YHPRVSEPSA-L
SMILES:
[O-]S(=O)(=O)c1cc(ccc1/C=C/c1ccc(cc1S(=O)(=O)[O-])Nc1nc(Nc2ccccc2)nc(n1)N1CCOCC1)Nc1nc(Nc2ccccc2)nc(n1)N1CCOCC1.[Na+].[Na+]
EC Number:
240-245-2
UNII:
Q1O8YPR146
Properties
Complexity:
1490  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
924.217g/mol
Formal Charge:
0
Heavy Atom Count:
64  
Hydrogen Bond Acceptor Count:
20  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
924.92g/mol
Monoisotopic Mass:
924.217g/mol
Rotatable Bond Count:
12  
Topological Polar Surface Area:
282A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties