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
    3.4856    0.0735   -0.4442 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6164    0.3086    0.5095 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1810    0.1627    0.3319 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6331   -0.2380   -0.8686 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7544   -0.3697   -1.0095 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5639   -0.0933    0.0680 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0084    0.3063    1.2634 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3515    0.4357    1.4026 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2987   -0.2497   -0.0815 S   0  0  0  0  0  6  0  0  0  0  0  0
   -3.7677    0.0157   -1.4837 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9419    0.7265    0.8629 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8069   -1.8029    0.3230 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
    3.1973   -0.2468   -1.4346 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5480    0.2043   -0.2380 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0050    0.6282    1.4766 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2291   -0.4623   -1.7298 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1993   -0.6830   -1.9447 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6551    0.5304    2.1347 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7494    0.7539    2.3636 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