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
    4.1309    1.3905    0.7368 O   0  0  0  0  0  1  0  0  0  0  0  0
    3.6259   -0.2195    0.5340 S   0  0  0  0  0  6  0  0  0  0  0  0
    4.2781   -1.0639    1.5567 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8949   -0.6566   -0.8735 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8836   -0.2398    0.7604 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0618    0.0671   -0.2004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3839    0.0737   -0.0917 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9977   -0.2602    1.0900 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3889   -0.2634    1.2269 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1278    0.0841    0.1216 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5167    0.4235   -1.0785 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1448    0.4223   -1.1985 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
    1.5058   -0.5168    1.7290 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5177    0.3400   -1.1623 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4675   -0.5424    1.9937 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8928   -0.5223    2.1455 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2262    0.1048    0.1512 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1119    0.6948   -1.9394 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6404    0.6841   -2.1274 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