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
   -3.4227    0.7374    0.5721 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6874   -0.0894   -0.1156 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2498   -0.0561   -0.0717 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4866    0.8141    0.6690 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9145    0.7806    0.6563 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5813   -0.1306   -0.1031 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8479   -1.0170   -0.8571 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5238   -0.9774   -0.8389 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3357   -0.2266   -0.1645 S   0  0  0  0  0  6  0  0  0  0  0  0
    3.8830    1.1647    0.0979 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7760   -0.7300   -1.5031 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9338   -1.2633    1.0064 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
   -2.9655    1.4755    1.1983 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5075    0.7294    0.5535 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1899   -0.8160   -0.7326 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9930    1.5578    1.2893 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4751    1.4723    1.2446 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3800   -1.7481   -1.4664 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1010   -1.6775   -1.4344 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