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
   -3.9815   -0.5166   -1.8058 O   0  0  0  0  0  1  0  0  0  0  0  0
   -3.6180    0.0866   -0.2741 S   0  0  0  0  0  6  0  0  0  0  0  0
   -3.6716    1.5867   -0.3101 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5586   -0.4783    0.7703 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9545   -0.3518    0.1646 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9932    0.4125   -0.3122 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4165    0.1529   -0.0207 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8310   -0.8889    0.7576 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1624   -1.0852    0.9979 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0947   -0.2415    0.4623 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7145    0.8323   -0.3364 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3700    1.0047   -0.5606 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
   -1.8208   -1.2131    0.7926 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2627    1.2668   -0.9453 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0741   -1.5750    1.1933 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4886   -1.9247    1.6245 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1766   -0.3779    0.6409 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4842    1.4765   -0.7411 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0482    1.8339   -1.1794 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