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
   -3.4124    0.7513    0.0777 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6617   -0.3256    0.0815 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2138   -0.2596    0.0175 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5783    0.9485   -0.0499 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8140    1.0745   -0.1135 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5741   -0.0712   -0.1078 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9429   -1.2917   -0.0403 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4308   -1.4159    0.0225 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3406    0.0362   -0.1868 S   0  0  0  0  0  6  0  0  0  0  0  0
    3.9541   -1.1489    0.4788 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8267    1.3341    0.3545 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7263    0.0095   -1.8401 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
   -3.1010    1.7659    0.0306 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5058    0.5655    0.1305 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1148   -1.3334    0.1344 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1402    1.8939   -0.0574 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3036    2.0345   -0.1664 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5748   -2.1773   -0.0378 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8983   -2.3904    0.0749 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