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
   -3.3424   -0.4481    0.9658 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6410   -0.2459   -0.1139 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2033   -0.1092   -0.1187 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4511   -0.1817    1.0256 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9253   -0.0478    0.9978 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5448    0.1618   -0.2041 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8298    0.2405   -1.3694 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5303    0.1067   -1.3294 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2934    0.3299   -0.2236 S   0  0  0  0  0  6  0  0  0  0  0  0
    3.7481   -0.1106   -1.6013 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9101   -0.5188    0.8333 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6307    1.9608   -0.0299 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
   -2.8948   -0.5271    1.9315 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4306   -0.5483    0.9437 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1791   -0.1763   -1.0724 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9357   -0.3479    1.9837 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4786   -0.1110    1.9179 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3737    0.4082   -2.2942 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1263    0.1649   -2.2426 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