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
   -3.4419   -0.0868   -0.5077 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6134    0.1444    0.4843 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1705    0.0843    0.3358 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6168   -0.2256   -0.8842 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7789   -0.2691   -0.9689 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5811   -0.0134    0.1206 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9955    0.2939    1.3283 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3714    0.3476    1.4558 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3071   -0.1000   -0.1170 S   0  0  0  0  0  6  0  0  0  0  0  0
    3.9230    0.9053    0.8455 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6007    0.3825   -1.5068 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8977   -1.6379    0.1675 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
   -3.1553   -0.3377   -1.5063 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5151   -0.0229   -0.3197 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9979    0.3980    1.4873 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1969   -0.4349   -1.7711 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1799   -0.5162   -1.9443 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6333    0.4965    2.1919 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8178    0.5919    2.4174 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