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
    2.2718    1.2045    3.8477 O   0  0  0  0  0  1  0  0  0  0  0  0
    1.0518    0.8332    2.6686 S   0  0  0  0  0  6  0  0  0  0  0  0
    0.3000    2.1056    2.5131 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2316   -0.2848    3.2540 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9041    0.3116    1.2600 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5351   -0.0593    0.0895 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2610   -0.1917   -0.5261 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9221    0.0735    0.0795 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1567   -0.0707   -0.5736 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1940   -0.4933   -1.8698 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9888   -0.7629   -2.4847 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2115   -0.6248   -1.8563 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
    3.0405    0.2925    1.4029 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4344   -0.3334   -0.5711 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9428    0.4052    1.0929 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0305    0.1602   -0.0215 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1452   -0.6082   -2.3843 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9878   -1.1023   -3.5204 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1264   -0.8548   -2.4004 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