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
   -3.9020   -0.9665    1.0376 O   0  0  0  0  0  1  0  0  0  0  0  0
   -3.5997    0.4681    0.2301 S   0  0  0  0  0  6  0  0  0  0  0  0
   -3.8744    1.6415    1.1277 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3510    0.5520   -1.0631 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8733    0.5575   -0.1848 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0192   -0.3035    0.3165 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3786   -0.2435   -0.0098 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2586   -1.1745    0.5411 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6064   -1.1607    0.2608 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0801   -0.1853   -0.5954 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2411    0.7538   -1.1608 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8721    0.7125   -0.8548 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
   -1.6457    1.3675   -0.8626 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3952   -1.0659    0.9868 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8705   -1.9233    1.2032 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3303   -1.8574    0.6599 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1364   -0.1603   -0.8261 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6128    1.5143   -1.8288 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2737    1.4738   -1.3295 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