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
    3.6143    2.1650   -1.4963 O   0  0  0  0  0  1  0  0  0  0  0  0
    3.5278    0.7213   -0.6382 S   0  0  0  0  0  6  0  0  0  0  0  0
    4.5570    0.7909    0.4475 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7759   -0.3942   -1.5816 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8943    0.5794    0.0603 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9770   -0.0408   -0.6339 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3725   -0.1862   -0.1135 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8079    0.2857    1.0973 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1219    0.1195    1.5546 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0429   -0.5428    0.7782 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6337   -1.0284   -0.4444 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3436   -0.8582   -0.8793 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
    1.7046    1.0093    1.0386 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2378   -0.4456   -1.6048 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1002    0.8166    1.7381 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4161    0.5069    2.5106 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0682   -0.6994    1.0809 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3654   -1.5573   -1.0668 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0162   -1.2417   -1.8474 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