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
    3.2023   -0.1564    1.4939 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6059   -0.6147    0.4382 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2103   -0.3105    0.1538 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6025   -0.8260   -0.9990 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7143   -0.5607   -1.3019 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5103    0.2239   -0.4937 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9218    0.7350    0.6414 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4111    0.4690    0.9519 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1850    0.5583   -0.8835 S   0  0  0  0  0  6  0  0  0  0  0  0
   -3.3908    0.5084   -2.3770 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6208    1.8934   -0.4055 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2052   -0.5960   -0.2186 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
    4.2521   -0.3820    1.7130 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7272    0.4692    2.2262 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1948   -1.2489   -0.2452 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2344   -1.4403   -1.6269 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1737   -0.9681   -2.2014 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5379    1.3480    1.2759 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8192    0.8984    1.8583 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