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
    3.9932    1.0949   -0.2505 O   0  0  0  0  0  1  0  0  0  0  0  0
    3.6258   -0.5160    0.0835 S   0  0  0  0  0  6  0  0  0  0  0  0
    4.2420   -0.9842    1.3574 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0923   -1.3317   -1.1073 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8743   -0.6840    0.1326 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0781    0.3226   -0.0824 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3691    0.2653   -0.0597 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1075    1.3986   -0.3030 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5018    1.3888   -0.2910 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1458    0.2069   -0.0275 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4324   -0.9379    0.2185 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0543   -0.8982    0.2001 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
    1.5132   -1.6672    0.3506 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5573    1.2904   -0.2979 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5933    2.3132   -0.5070 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0888    2.2773   -0.4817 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2441    0.1517   -0.0077 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9397   -1.8655    0.4253 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4995   -1.8251    0.3994 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