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
   -3.2817    1.2620    0.3388 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6839    0.2404   -0.1915 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2478    0.0770   -0.1072 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6424   -1.0468   -0.6976 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7050   -1.2635   -0.6561 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5351   -0.3675   -0.0196 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9804    0.7433    0.5695 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3712    0.9299    0.5096 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2784   -0.6509    0.0323 S   0  0  0  0  0  6  0  0  0  0  0  0
    3.5038   -2.1358    0.0602 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8493   -0.0958    1.3045 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9656    0.0626   -1.2962 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
   -2.7409    2.0222    0.8579 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3491    1.3500    0.2563 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2661   -0.5135   -0.7122 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2822   -1.7578   -1.2003 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1885   -2.1288   -1.1086 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6419    1.4445    1.0691 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7828    1.8287    0.9910 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