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
    4.0297    0.8546   -0.9563 O   0  0  0  0  0  1  0  0  0  0  0  0
    3.6305    0.0652    0.4773 S   0  0  0  0  0  6  0  0  0  0  0  0
    3.8688    1.0286    1.6119 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5000   -1.1437    0.5760 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9261   -0.3737    0.4220 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0455    0.4653   -0.0351 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3894    0.1759   -0.1139 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2715    1.1203   -0.6133 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6291    0.9101   -0.7134 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1733   -0.2890   -0.3055 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3143   -1.2413    0.1940 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9369   -1.0196    0.2921 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
    1.6851   -1.3606    0.7860 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3829    1.4468   -0.3837 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8438    2.0791   -0.9405 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2691    1.7046   -1.1197 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2392   -0.4479   -0.3866 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7109   -2.1924    0.5223 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2911   -1.7825    0.6866 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