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
    3.8775    0.5433    1.5065 O   0  0  0  0  0  1  0  0  0  0  0  0
    3.6285   -0.4800    0.2049 S   0  0  0  0  0  6  0  0  0  0  0  0
    4.2739    0.0011   -1.0449 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1816   -1.8447    0.5045 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9088   -0.6255   -0.0950 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0822    0.3065    0.2995 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3610    0.2439    0.0798 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9916   -0.7972   -0.5611 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3770   -0.8317   -0.7582 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1713    0.1930   -0.3097 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5472    1.2382    0.3326 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1886    1.2822    0.5313 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
    1.5642   -1.4941   -0.6063 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4978    1.1691    0.8167 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3956   -1.6182   -0.9257 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8361   -1.6646   -1.2651 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2512    0.2067   -0.4414 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1866    2.0520    0.6877 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7083    2.1202    1.0438 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