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
    4.3490    1.4525    0.0113 O   0  0  0  0  0  1  0  0  0  0  0  0
    3.6176   -0.0300    0.3827 S   0  0  0  0  0  6  0  0  0  0  0  0
    3.8893   -0.9652   -0.7517 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1882   -0.5324    1.6585 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8833    0.2849    0.5516 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0072   -0.4282   -0.0915 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4159   -0.1866    0.0330 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2863   -1.0034   -0.6964 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6210   -0.8055   -0.6036 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1285    0.1899    0.2003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2810    0.9879    0.9129 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8990    0.7974    0.8288 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
    1.6370    1.0895    1.2103 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3686   -1.2268   -0.7390 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8688   -1.7967   -1.3365 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3306   -1.4343   -1.1673 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1912    0.3663    0.2900 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6435    1.7959    1.5681 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2742    1.4448    1.4034 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