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
    3.5407   -0.0099   -0.2867 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6061    0.5281    0.4426 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1714    0.2952    0.3127 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6745   -0.5590   -0.6453 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7028   -0.7577   -0.7408 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6033   -0.1295    0.0917 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0820    0.7195    1.0411 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2694    0.9415    1.1667 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3330   -0.4055   -0.0593 S   0  0  0  0  0  6  0  0  0  0  0  0
   -3.6534   -0.7752   -1.4799 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1099    0.8014    0.3826 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7487   -1.7082    0.9289 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
    3.3027   -0.6992   -1.0763 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5858    0.2241   -0.1162 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9220    1.2272    1.2358 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3585   -1.0683   -1.3156 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0456   -1.4413   -1.5129 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8033    1.2042    1.6861 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6508    1.6127    1.9203 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