Monomers

Sodium styrenesulfonate

Identifiers

IUPAC name
sodium;2-phenylethenesulfonate
InchI
InChI=1S/C8H8O3S.Na/c9-12(10,11)7-6-8-4-2-1-3-5-8;/h1-7H,(H,9,10,11);/q;+1/p-1
InchI Key
MNCGMVDMOKPCSQ-UHFFFAOYSA-M
SMILES
[O-]S(=O)(=O)C=Cc1ccccc1.[Na+]
Canonical SMILES
C1=CC=C(C=C1)C=CS(=O)(=O)[O-].[Na+]
Isomeric SMILES
C1=CC=C(C=C1)C=CS(=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
-1.7935
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
   -4.0169    1.0359   -0.6142 O   0  0  0  0  0  1  0  0  0  0  0  0
   -3.6154   -0.5064   -0.0931 S   0  0  0  0  0  6  0  0  0  0  0  0
   -3.9392   -0.5821    1.3780 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3418   -1.5726   -0.8213 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8630   -0.6901   -0.2670 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0824    0.2946    0.0635 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3759    0.2292   -0.0477 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1345    1.3249    0.3264 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5086    1.3519    0.2555 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1303    0.2142   -0.2164 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4137   -0.9082   -0.6033 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0384   -0.8830   -0.5123 C   0  0  0  0  0  0  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
   -1.5125   -1.6454   -0.6531 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5210    1.2135    0.4409 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6269    2.2300    0.7027 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0444    2.2401    0.5635 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2042    0.2173   -0.2787 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9272   -1.7956   -0.9730 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4882   -1.7683   -0.8183 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  2  0
  2  5  1  0
  5  6  2  3
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12  7  1  0
  5 14  1  0
  6 15  1  0
  8 16  1  0
  9 17  1  0
 10 18  1  0
 11 19  1  0
 12 20  1  0
M  CHG  2   1  -1  13   1
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers