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
   -3.4661   -0.2839    0.6886 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6571    0.4358   -0.0437 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2143    0.2261   -0.0395 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3816    1.0185   -0.8386 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9849    0.8769   -0.8845 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5803   -0.0941   -0.1067 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7964   -0.8893    0.6887 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5877   -0.7338    0.7247 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3178   -0.2369   -0.1978 S   0  0  0  0  0  6  0  0  0  0  0  0
    3.7573   -1.6502    0.0596 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7712    0.2304   -1.5387 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9698    0.7936    0.9811 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
   -4.5313   -0.0969    0.6573 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1281   -1.0670    1.3338 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0618    1.2129   -0.6754 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8792    1.7661   -1.4325 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5794    1.5196   -1.5226 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3058   -1.6419    1.2857 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1557   -1.3859    1.3676 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