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

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

CAS No.:
78211-77-5
Catalog Number:
AG005NKP
Molecular Formula:
C16H12N2Na2O9S2
Molecular Weight:
486.3840
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Product Description
Catalog Number:
AG005NKP
Chemical Name:
4-Acetamido-4'-nitrostilbene-2,2'-disulfonic Acid Disodium Salt
CAS Number:
78211-77-5
Molecular Formula:
C16H12N2Na2O9S2
Molecular Weight:
486.3840
MDL Number:
MFCD00337321
IUPAC Name:
disodium;5-acetamido-2-[(E)-2-(4-nitro-2-sulfonatophenyl)ethenyl]benzenesulfonate
InChI:
InChI=1S/C16H14N2O9S2.2Na/c1-10(19)17-13-6-4-11(15(8-13)28(22,23)24)2-3-12-5-7-14(18(20)21)9-16(12)29(25,26)27;;/h2-9H,1H3,(H,17,19)(H,22,23,24)(H,25,26,27);;/q;2*+1/p-2/b3-2+;;
InChI Key:
HXVPDHLOXJWYDI-WTVBWJGASA-L
SMILES:
[Na]OS(=O)(=O)c1cc(ccc1/C=C/c1ccc(cc1S(=O)(=O)O[Na])[N+](=O)[O-])NC(=O)C
Properties
Complexity:
826  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
485.978g/mol
Formal Charge:
0
Heavy Atom Count:
31  
Hydrogen Bond Acceptor Count:
9  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
486.377g/mol
Monoisotopic Mass:
485.978g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
206A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties