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
    4.0837   -0.5386    0.8086 O   0  0  0  0  0  1  0  0  0  0  0  0
    3.5375    0.8402    0.0140 S   0  0  0  0  0  6  0  0  0  0  0  0
    4.1282    2.0558    0.6625 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9016    0.8025   -1.4454 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7866    0.8381    0.1386 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1287   -0.2054   -0.3039 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3236   -0.2624   -0.2266 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9784   -1.4008   -0.7138 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3486   -1.5238   -0.6733 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1022   -0.4997   -0.1388 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5118    0.6439    0.3555 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1242    0.7115    0.2878 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
    1.3117    1.6765    0.5660 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6659   -1.0392   -0.7337 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3663   -2.1898   -1.1279 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8280   -2.4334   -1.0658 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1871   -0.5566   -0.0877 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0949    1.4652    0.7827 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6789    1.6159    0.6803 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