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
   -3.4117    0.0094   -0.6611 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6380   -0.1939    0.3825 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1933   -0.1049    0.3592 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5352    0.2088   -0.8059 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8425    0.2931   -0.8252 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5667    0.0668    0.3085 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8867   -0.2520    1.4899 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4762   -0.3422    1.5380 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2987    0.1478    0.3896 S   0  0  0  0  0  6  0  0  0  0  0  0
    3.7388    0.6509    1.7393 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7377    1.2048   -0.6141 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0223   -1.3271    0.0642 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
   -2.9751    0.2597   -1.6079 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5010   -0.0843   -0.5313 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1156   -0.4524    1.3544 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0313    0.4013   -1.7410 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3321    0.5391   -1.7454 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4575   -0.4323    2.3917 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0057   -0.5925    2.4665 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