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
    4.0253   -0.8066    1.6416 O   0  0  0  0  0  1  0  0  0  0  0  0
    3.5863   -0.4184    0.0907 S   0  0  0  0  0  6  0  0  0  0  0  0
    3.8802    1.0388   -0.1285 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3187   -1.2251   -0.9475 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8427   -0.6296   -0.1134 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0605    0.3503    0.2254 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3674    0.2545    0.0892 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9721   -0.8661   -0.4010 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3301   -0.9674   -0.5346 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1156    0.1060   -0.1587 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5151    1.2517    0.3412 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1544    1.3426    0.4709 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
    1.5419   -1.5673   -0.5095 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4602    1.2943    0.6309 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3839   -1.7133   -0.6999 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8280   -1.8365   -0.9168 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1826    0.0791   -0.2426 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1698    2.0764    0.6265 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6968    2.2366    0.8602 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