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
    3.5158    0.4239    0.6134 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6388   -0.4295    0.1411 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1919   -0.2147    0.1453 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3762   -1.1958   -0.3845 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9982   -1.1035   -0.4345 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5876    0.0337    0.0740 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7939    1.0200    0.6048 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6023    0.9177    0.6514 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3317    0.1480    0.0092 S   0  0  0  0  0  6  0  0  0  0  0  0
   -3.8228    1.0146    1.1355 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8785   -1.2446    0.1221 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8525    0.8560   -1.4173 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
    3.1574    1.3495    1.0356 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5661    0.1774    0.5666 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0503   -1.3636   -0.2817 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8253   -2.1080   -0.7940 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6019   -1.9083   -0.8646 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2540    1.9147    1.0051 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1971    1.7126    1.0761 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