Home Sulfos 4-Acetamido-4'-aminostilbene-2,2'-disulfonic Acid Disodium Salt

4-Acetamido-4'-aminostilbene-2,2'-disulfonic Acid Disodium Salt

CAS No.:
78211-74-2
Catalog Number:
AG008NGF
Molecular Formula:
C16H14N2Na2O7S2
Molecular Weight:
456.4011
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Product Description
Catalog Number:
AG008NGF
Chemical Name:
4-Acetamido-4'-aminostilbene-2,2'-disulfonic Acid Disodium Salt
CAS Number:
78211-74-2
Molecular Formula:
C16H14N2Na2O7S2
Molecular Weight:
456.4011
MDL Number:
MFCD00344561
IUPAC Name:
disodium;2-[2-(4-acetamido-2-sulfonatophenyl)ethenyl]-5-aminobenzenesulfonate
InChI:
InChI=1S/C16H16N2O7S2.2Na/c1-10(19)18-14-7-5-12(16(9-14)27(23,24)25)3-2-11-4-6-13(17)8-15(11)26(20,21)22;;/h2-9H,17H2,1H3,(H,18,19)(H,20,21,22)(H,23,24,25);;/q;2*+1/p-2
InChI Key:
TULVWJNDBWGSCZ-UHFFFAOYSA-L
SMILES:
[Na]OS(=O)(=O)c1cc(ccc1/C=C/c1ccc(cc1S(=O)(=O)O[Na])N)NC(=O)C
Properties
Complexity:
778  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
456.004g/mol
Formal Charge:
0
Heavy Atom Count:
29  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
456.395g/mol
Monoisotopic Mass:
456.004g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
186A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
Properties