Monomers

Sodium 4-vinylbenzenesulfonate

Identifiers

IUPAC name
sodium;4-ethenylbenzenesulfonate
InchI
InChI=1S/C8H8O3S.Na/c1-2-7-3-5-8(6-4-7)12(9,10)11;/h2-6H,1H2,(H,9,10,11);/q;+1/p-1
InchI Key
XFTALRAZSCGSKN-UHFFFAOYSA-M
SMILES
C=Cc1ccc(cc1)S(=O)(=O)[O-].[Na+]
Canonical SMILES
C=CC1=CC=C(C=C1)S(=O)(=O)[O-].[Na+]
Isomeric SMILES
C=CC1=CC=C(C=C1)S(=O)(=O)[O-].[Na+]
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C8H7NaO3S
Heavy Atom Count
13
Molecular Weight
206.198
Exact Molecular Weight
206.0014
Valence Electrons
64
Radical Electrons
0
tPSA
57.2
MolLogP
-1.7623
H Bond Acceptors
3
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
1
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
1

MOL File


     RDKit          3D

 20 19  0  0  0  0  0  0  0  0999 V2000
    3.5328   -0.2548   -0.2535 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6437    0.5220    0.2956 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2162    0.2725    0.1543 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3035    1.1427    0.7679 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0592    0.9739    0.6803 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6055   -0.0766   -0.0266 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7230   -0.9407   -0.6354 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6643   -0.7680   -0.5457 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3342   -0.3160   -0.1549 S   0  0  0  0  0  6  0  0  0  0  0  0
   -4.0759    1.0023   -0.0599 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6659   -0.9045   -1.4845 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9234   -1.2818    1.0872 O   0  0  0  0  0  1  0  0  0  0  0  0
    0.0000    0.0000    0.0000 Na  0  0  0  0  0 15  0  0  0  0  0  0
    4.5871   -0.0417   -0.1295 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2590   -1.1001   -0.8257 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0120    1.3822    0.8760 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7225    1.9762    1.3291 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7665    1.6463    1.1545 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1173   -1.7626   -1.1892 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3295   -1.4712   -1.0400 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  6  9  1  0
  9 10  2  0
  9 11  2  0
  9 12  1  0
  8  3  1  0
  1 14  1  0
  1 15  1  0
  2 16  1  0
  4 17  1  0
  5 18  1  0
  7 19  1  0
  8 20  1  0
M  CHG  2  12  -1  13   1
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers