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
    4.5016   -1.1583    0.0446 O   0  0  0  0  0  1  0  0  0  0  0  0
    3.5532    0.0543    0.7433 S   0  0  0  0  0  6  0  0  0  0  0  0
    3.8412    1.3546    0.0722 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8033    0.1218    2.2086 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8600   -0.3790    0.4335 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0125    0.5270    0.0144 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3601    0.1926   -0.2407 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9358   -1.0412   -0.0904 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2927   -1.2678   -0.3671 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0757   -0.2233   -0.8033 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5298    1.0311   -0.9657 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2132    1.2066   -0.6868 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
    1.5485   -1.4054    0.5992 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3735    1.5310   -0.1340 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3293   -1.8696    0.2520 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6423   -2.2601   -0.2186 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1177   -0.4308   -1.0079 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1982    1.8082   -1.3111 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7992    2.2083   -0.8218 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