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
   -3.4265   -0.6346   -0.4139 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6886    0.1773    0.3035 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2289    0.1330    0.1766 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4481    0.9994    0.9425 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9161    0.9749    0.8396 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6008    0.1240    0.0023 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8320   -0.7306   -0.7533 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5649   -0.7224   -0.6637 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3352    0.1253   -0.0981 S   0  0  0  0  0  6  0  0  0  0  0  0
    3.9338    1.4635    0.1733 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7896   -0.3823   -1.4566 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9833   -0.9625    1.0296 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
   -3.0794   -1.3674   -1.1207 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5320   -0.5834   -0.3011 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1728    0.8718    0.9826 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9804    1.6820    1.6132 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5082    1.6687    1.4549 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3444   -1.4073   -1.4173 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1220   -1.4293   -1.2934 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