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
   -4.2497   -0.2737    1.3119 O   0  0  0  0  0  1  0  0  0  0  0  0
   -3.6566    0.0898   -0.1993 S   0  0  0  0  0  6  0  0  0  0  0  0
   -3.8458   -1.0712   -1.1570 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3935    1.2555   -0.8350 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9366    0.4314   -0.1724 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0361   -0.5204   -0.2543 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3833   -0.2367   -0.2319 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2985   -1.2877   -0.3223 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6569   -1.0543   -0.3041 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1750    0.2225   -0.1964 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2688    1.2555   -0.1076 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9004    1.0241   -0.1255 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
   -1.6519    1.4577   -0.0856 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3265   -1.5774   -0.3437 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8981   -2.3065   -0.4083 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3256   -1.8945   -0.3763 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2478    0.3349   -0.1881 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6741    2.2564   -0.0231 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2680    1.8945   -0.0509 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