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
    4.4594    1.4899    0.9452 O   0  0  0  0  0  1  0  0  0  0  0  0
    3.6234    0.2576    0.1758 S   0  0  0  0  0  6  0  0  0  0  0  0
    3.9289    0.3437   -1.3138 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0940   -1.0884    0.7004 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9118    0.4604    0.4483 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0520   -0.2586   -0.2369 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3927   -0.1689   -0.0885 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9956    0.6901    0.7960 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3853    0.7223    0.8846 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1739   -0.0846    0.1088 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5608   -0.9538   -0.7864 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1957   -0.9765   -0.8646 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
    1.5640    1.1582    1.1612 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4670   -0.9707   -0.9669 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4077    1.3510    1.4339 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8578    1.3991    1.5814 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2466   -0.1047    0.1321 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1455   -1.6028   -1.4125 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7389   -1.6632   -1.5707 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