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
   -3.4445   -0.2426   -0.6757 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6300    0.4752    0.0519 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1932    0.2814    0.0826 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5972   -0.6989   -0.6769 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7798   -0.8469   -0.6152 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5875   -0.0594    0.1713 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9549    0.9160    0.9216 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3992    1.1085    0.9012 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3184   -0.3027    0.1998 S   0  0  0  0  0  6  0  0  0  0  0  0
    3.6333   -1.7588   -0.1166 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8959   -0.0492    1.5700 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1005    0.6134   -0.9591 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
   -4.5237   -0.0832   -0.6869 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1168   -1.0431   -1.3178 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0488    1.2582    0.6665 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1807   -1.3553   -1.3201 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2139   -1.6359   -1.2327 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5539    1.5533    1.5506 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9041    1.8700    1.4854 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