Monomers

Sodium styrenesulfonate

Identifiers

IUPAC name
sodium;2-phenylethenesulfonate
InchI
InChI=1S/C8H8O3S.Na/c9-12(10,11)7-6-8-4-2-1-3-5-8;/h1-7H,(H,9,10,11);/q;+1/p-1
InchI Key
MNCGMVDMOKPCSQ-UHFFFAOYSA-M
SMILES
[O-]S(=O)(=O)C=Cc1ccccc1.[Na+]
Canonical SMILES
C1=CC=C(C=C1)C=CS(=O)(=O)[O-].[Na+]
Isomeric SMILES
C1=CC=C(C=C1)C=CS(=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
-1.7935
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
    3.6900   -0.3839    2.4285 O   0  0  0  0  0  1  0  0  0  0  0  0
    3.5188    0.4453    0.9934 S   0  0  0  0  0  6  0  0  0  0  0  0
    4.1398   -0.3240   -0.1301 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1883    1.7880    1.0514 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7942    0.6899    0.7323 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0967   -0.1940    0.0675 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3249   -0.1024   -0.2103 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9790   -1.0878   -0.9228 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3214   -1.0357   -1.2047 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0928    0.0257   -0.7798 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4721    1.0254   -0.0670 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1013    0.9502    0.2084 C   0  0  0  0  0  0  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
    1.3075    1.5669    1.1184 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6204   -1.0886   -0.3199 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3832   -1.9328   -1.2652 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8166   -1.8353   -1.7745 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1569    0.0918   -0.9891 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0604    1.8830    0.2845 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6473    1.7677    0.7789 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  2  0
  2  5  1  0
  5  6  2  3
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12  7  1  0
  5 14  1  0
  6 15  1  0
  8 16  1  0
  9 17  1  0
 10 18  1  0
 11 19  1  0
 12 20  1  0
M  CHG  2   1  -1  13   1
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers