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
   -3.4492   -0.3795   -0.6219 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6081    0.4704   -0.0716 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1787    0.2706    0.0009 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5764   -0.8466   -0.5105 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8122   -0.9770   -0.4067 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5849   -0.0129    0.1951 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9560    1.1054    0.7038 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4121    1.2568    0.6135 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3026   -0.2682    0.2742 S   0  0  0  0  0  6  0  0  0  0  0  0
    3.5556   -1.7493    0.3467 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7961    0.3814    1.5379 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0880    0.3631   -1.0756 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
   -3.0792   -1.2768   -1.0468 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5181   -0.2000   -0.6603 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0626    1.3835    0.3511 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1336   -1.6382   -0.9951 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2395   -1.8902   -0.8328 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5676    1.8763    1.1842 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8844    2.1313    1.0138 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