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
   -4.1139    0.9568    0.1811 O   0  0  0  0  0  1  0  0  0  0  0  0
   -3.5583   -0.2954   -0.8154 S   0  0  0  0  0  6  0  0  0  0  0  0
   -4.2912   -1.5678   -0.5346 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7700    0.1297   -2.2375 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8437   -0.5318   -0.4666 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0648    0.4569   -0.1264 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3462    0.2477    0.1583 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9910   -0.9640    0.1034 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3378   -1.1275    0.3811 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0964   -0.0348    0.7340 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4827    1.1964    0.7992 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1505    1.3432    0.5219 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
   -1.4594   -1.5286   -0.5448 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4561    1.4681   -0.0473 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4290   -1.8464   -0.1701 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8046   -2.1043    0.3249 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1424   -0.1619    0.9497 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1103    2.0479    1.0824 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6666    2.3159    0.5737 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