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
   -3.4257    1.0067    0.0126 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6169    0.2073   -0.6271 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1944    0.0422   -0.3312 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4083   -0.8288   -1.0611 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9361   -1.0194   -0.8209 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5684   -0.3274    0.1875 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8040    0.5469    0.9285 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5618    0.7370    0.6806 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2778   -0.5354    0.5321 S   0  0  0  0  0  6  0  0  0  0  0  0
    3.7132   -1.8964    0.0823 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5472   -0.2678    1.9632 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1315    0.5927   -0.4048 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
   -3.0664    1.6047    0.8201 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4545    1.0660   -0.2702 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0207   -0.3861   -1.4446 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9248   -1.3775   -1.8658 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5108   -1.7029   -1.4081 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3052    1.0981    1.7311 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1206    1.4403    1.2959 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