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
    3.3736   -0.7138   -0.5248 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4412   -1.0352    0.3305 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0856   -0.5035    0.3156 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2031   -0.9351    1.2855 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0925   -0.4768    1.3341 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5044    0.4386    0.3800 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6350    0.8614   -0.5726 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6635    0.4075   -0.6280 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1511    1.0567    0.3969 S   0  0  0  0  0  6  0  0  0  0  0  0
   -3.4979    1.4779   -1.0044 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0990    0.0093    0.8955 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1590    2.4295    1.3525 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
    4.3606   -1.1408   -0.4637 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1738   -0.0139   -1.3103 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7123   -1.7612    1.1143 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4891   -1.6536    2.0524 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8000   -0.8024    2.0860 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9176    1.5888   -1.3524 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3536    0.7664   -1.4134 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