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
   -3.4660   -0.4498   -0.2013 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6016    0.3286    0.4177 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1778    0.1780    0.2085 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6270   -0.7605   -0.6271 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7535   -0.8379   -0.7710 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5724    0.0229   -0.0790 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9855    0.9587    0.7563 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3640    1.0697    0.9273 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3180   -0.0669   -0.2541 S   0  0  0  0  0  6  0  0  0  0  0  0
    3.6170   -0.6686   -1.6187 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9048    1.3123   -0.1498 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9165   -1.1167    0.8853 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
   -4.5363   -0.3067   -0.0184 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1079   -1.2064   -0.8703 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9863    1.1099    1.1094 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2416   -1.4432   -1.1779 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2008   -1.5630   -1.4179 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6409    1.6332    1.2978 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8009    1.8062    1.5833 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