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
   -4.3420    1.0084   -1.1753 O   0  0  0  0  0  1  0  0  0  0  0  0
   -3.6476   -0.0471   -0.0495 S   0  0  0  0  0  6  0  0  0  0  0  0
   -4.3108    0.2605    1.2760 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9061   -1.4678   -0.3699 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9266    0.3138    0.0691 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0053   -0.5290   -0.2902 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4092   -0.2267   -0.1904 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3435   -1.1815   -0.5956 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6809   -0.9024   -0.5040 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1896    0.2771   -0.0311 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2612    1.2151    0.3671 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8882    0.9528    0.2830 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
   -1.6866    1.2763    0.4579 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2910   -1.5031   -0.6830 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9515   -2.1173   -0.9709 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3648   -1.6963   -0.8393 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2541    0.4580    0.0250 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5855    2.1782    0.7547 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1874    1.7311    0.6122 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