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
    2.4379    2.2208   -0.6339 O   0  0  0  0  0  1  0  0  0  0  0  0
    2.7656    0.9799    0.4430 S   0  0  0  0  0  6  0  0  0  0  0  0
    2.2894    1.2900    1.8466 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3100    1.0475    0.5987 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2980   -0.5816   -0.0991 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1430   -1.0605   -0.3530 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2043   -0.5485   -0.3054 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2813   -1.3852   -0.6675 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5814   -0.9542   -0.6418 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8808    0.3361   -0.2534 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8712    1.1953    0.1101 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5665    0.7145    0.0688 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
    3.1591   -1.2959   -0.2538 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2090   -2.1555   -0.6990 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0264   -2.4024   -0.9721 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3709   -1.6354   -0.9291 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9244    0.6206   -0.2525 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0913    2.2150    0.4185 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1866    1.3995    0.3541 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