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
   -3.4670    0.2995    0.0175 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5824   -0.6515   -0.0932 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1555   -0.3635   -0.0282 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2556   -1.4235   -0.1533 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0767   -1.1936   -0.0979 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5723    0.0798    0.0818 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6810    1.1234    0.2049 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6894    0.9222    0.1525 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2648    0.4304    0.1601 S   0  0  0  0  0  6  0  0  0  0  0  0
    3.5499    1.8383   -0.2863 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0719   -0.4928   -0.7164 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7874    0.3323    1.7713 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
   -3.2236    1.3361    0.1605 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5343   -0.0146   -0.0444 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8835   -1.6737   -0.2354 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6679   -2.4349   -0.2963 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7709   -2.0390   -0.1981 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0372    2.1410    0.3477 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3531    1.7841    0.2556 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