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
   -3.4575    0.2641   -0.5228 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5525   -0.6477   -0.4316 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1547   -0.3766   -0.2067 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6925    0.9103   -0.0723 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6679    1.1452    0.1452 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5737    0.1110    0.2303 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0715   -1.1608    0.0907 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2496   -1.4413   -0.1231 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2667    0.4323    0.5024 S   0  0  0  0  0  6  0  0  0  0  0  0
    4.1403   -0.6180   -0.1494 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5750    1.7940   -0.0756 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5791    0.4584    2.1435 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
   -3.2404    1.3061   -0.4376 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5188    0.0234   -0.6953 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8520   -1.7088   -0.5302 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3655    1.7684   -0.1312 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0283    2.1633    0.2506 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7945   -1.9698    0.1595 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6136   -2.4535   -0.2289 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