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
    4.1808   -0.9288   -0.5945 O   0  0  0  0  0  1  0  0  0  0  0  0
    3.6277    0.4473    0.1826 S   0  0  0  0  0  6  0  0  0  0  0  0
    4.3891    1.6468   -0.3079 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7443    0.2929    1.6715 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9134    0.6155   -0.1737 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0736   -0.2513    0.3403 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3702   -0.2238    0.1231 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9699    0.7354   -0.6547 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3321    0.7650   -0.8624 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1453   -0.1837   -0.2853 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5721   -1.1488    0.4931 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2133   -1.1625    0.6888 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
    1.6089    1.4225   -0.8008 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4428   -1.0684    0.9836 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3782    1.4917   -1.1225 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7986    1.5264   -1.4786 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2379   -0.1503   -0.4589 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2182   -1.8928    0.9445 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7450   -1.9330    1.3118 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