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
    3.4139   -0.8232   -0.1269 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6585    0.2016    0.1792 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2030    0.1634    0.1773 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5261   -0.9836   -0.1557 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8700   -1.0072   -0.1537 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5825    0.1284    0.1849 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9074    1.2825    0.5200 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4828    1.2910    0.5136 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3162    0.1459    0.2011 S   0  0  0  0  0  6  0  0  0  0  0  0
   -3.8101   -0.7683   -0.8794 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7784    1.5381   -0.1003 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9467   -0.2864    1.6987 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
    3.0306   -1.7961   -0.4104 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4980   -0.7588   -0.1149 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1723    1.1326    0.4497 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0107   -1.9058   -0.4300 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3922   -1.9262   -0.4207 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4275    2.1956    0.7919 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0350    2.1765    0.7704 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