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
    3.5397   -0.1098   -0.3356 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6014   -0.4582    0.5101 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1776   -0.2386    0.2909 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2545   -0.6509    1.2626 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0922   -0.4625    1.0940 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5784    0.1363   -0.0327 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7157    0.5547   -1.0071 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6516    0.3591   -0.8273 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2876    0.4063   -0.3088 S   0  0  0  0  0  6  0  0  0  0  0  0
   -4.1059   -0.6846    0.3583 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5841    0.3168   -1.7920 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8030    1.8753    0.2735 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
    3.2771    0.3687   -1.2554 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5756   -0.2880   -0.1389 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9146   -0.9469    1.4427 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6605   -1.1249    2.1511 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8017   -0.7850    1.8520 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0432    1.0429   -1.9364 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3591    0.6894   -1.6008 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