Monomers

Sodium 4-vinylbenzenesulfonate

Identifiers

IUPAC name
sodium;4-ethenylbenzenesulfonate
InchI
InChI=1S/C8H8O3S.Na/c1-2-7-3-5-8(6-4-7)12(9,10)11;/h2-6H,1H2,(H,9,10,11);/q;+1/p-1
InchI Key
XFTALRAZSCGSKN-UHFFFAOYSA-M
SMILES
C=Cc1ccc(cc1)S(=O)(=O)[O-].[Na+]
Canonical SMILES
C=CC1=CC=C(C=C1)S(=O)(=O)[O-].[Na+]
Isomeric SMILES
C=CC1=CC=C(C=C1)S(=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
-1.7623
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
   -3.4515    0.7431   -0.1370 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6725   -0.2790    0.0568 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2320   -0.1777    0.0399 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4517   -1.3250    0.2573 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9212   -1.2764    0.2503 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6011   -0.0987    0.0294 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8761    1.0329   -0.1850 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5165    0.9749   -0.1762 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3488   -0.0686    0.0264 S   0  0  0  0  0  6  0  0  0  0  0  0
    3.7794    1.3295    0.4397 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8629   -1.0877    0.9923 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8721   -0.3522   -1.5267 O   0  0  0  0  0  1  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
   -3.0485    1.7175   -0.3200 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5399    0.6848   -0.1277 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1243   -1.2353    0.2363 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9940   -2.2585    0.4324 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4924   -2.1871    0.4228 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3657    1.9719   -0.3612 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0889    1.8916   -0.3498 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  6  9  1  0
  9 10  2  0
  9 11  2  0
  9 12  1  0
  8  3  1  0
  1 14  1  0
  1 15  1  0
  2 16  1  0
  4 17  1  0
  5 18  1  0
  7 19  1  0
  8 20  1  0
M  CHG  2  12  -1  13   1
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers