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
   -3.4552    0.3442    0.0341 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5835   -0.6223   -0.0321 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1626   -0.3779    0.0226 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2867   -1.4542   -0.0536 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0559   -1.2065   -0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5694    0.0632    0.1254 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7012    1.1132    0.1995 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6820    0.9047    0.1487 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2870    0.3759    0.1934 S   0  0  0  0  0  6  0  0  0  0  0  0
    3.5224    1.7510   -0.3630 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0616   -0.5829   -0.6844 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8621    0.3495    1.7665 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
   -4.5373    0.1616   -0.0073 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2005    1.3807    0.1326 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9318   -1.6369   -0.1308 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7046   -2.4557   -0.1531 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7637   -2.0445   -0.0591 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0384    2.1474    0.3000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3175    1.7894    0.2134 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