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
   -3.4118    0.1617    0.7119 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5971    0.5535   -0.2106 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1773    0.2852   -0.1637 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3578    0.7469   -1.2090 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9672    0.4841   -1.1437 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5499   -0.2102   -0.1084 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7443   -0.6548    0.9032 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6128   -0.4080    0.8751 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2767   -0.5196   -0.0808 S   0  0  0  0  0  6  0  0  0  0  0  0
    3.7398   -0.5248   -1.5303 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5804   -1.8514    0.5405 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1162    0.6937    0.6898 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
   -3.0912   -0.3826    1.5638 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4756    0.3810    0.6450 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9873    1.1097   -1.0625 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7965    1.2954   -2.0334 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5998    0.8421   -1.9534 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1472   -1.2087    1.7475 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2139   -0.7933    1.7230 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