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
    4.1447   -0.4808    0.2625 O   0  0  0  0  0  1  0  0  0  0  0  0
    3.4778    0.8242   -0.5720 S   0  0  0  0  0  6  0  0  0  0  0  0
    4.1642    2.0617   -0.0622 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6712    0.6912   -2.0545 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7468    0.8726   -0.1894 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0731   -0.2351   -0.2963 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3540   -0.2815   -0.0006 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0781    0.8128    0.4033 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4411    0.7495    0.6815 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0472   -0.4806    0.5324 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3297   -1.5830    0.1281 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9891   -1.5239   -0.1462 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
    1.2922    1.8025    0.1193 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5857   -1.1364   -0.6109 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6068    1.7991    0.5260 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9860    1.6339    0.9993 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1049   -0.5662    0.7400 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8027   -2.5683    0.0060 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4161   -2.3917   -0.4663 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