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
   -4.5791    1.1077   -0.3720 O   0  0  0  0  0  1  0  0  0  0  0  0
   -3.6294   -0.2389   -0.0285 S   0  0  0  0  0  6  0  0  0  0  0  0
   -4.1703   -1.4074   -0.7981 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7430   -0.5353    1.4394 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9584    0.0687   -0.3889 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0085   -0.3086    0.4271 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4061   -0.1032    0.2236 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3365   -0.5359    1.1396 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7001   -0.3295    0.9280 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1528    0.3171   -0.2108 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2193    0.7509   -1.1290 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8517    0.5363   -0.9028 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
   -1.7163    0.5760   -1.2967 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3410   -0.8261    1.3425 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0387   -1.0544    2.0608 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4477   -0.6643    1.6400 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2155    0.4652   -0.3521 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5658    1.2618   -2.0302 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2118    0.9199   -1.6918 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