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
    4.0581   -0.6743    1.7005 O   0  0  0  0  0  1  0  0  0  0  0  0
    3.6242    0.2305    0.3456 S   0  0  0  0  0  6  0  0  0  0  0  0
    4.4109    1.5011    0.4019 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9392   -0.5693   -0.8872 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9020    0.5386    0.3314 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0628   -0.4114    0.0006 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3772   -0.2257   -0.0324 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1894   -1.3003   -0.3983 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5555   -1.1828   -0.4469 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1406    0.0398   -0.1226 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3771    1.1260    0.2437 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9988    0.9723    0.2824 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
    1.5553    1.5062    0.5951 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4515   -1.3829   -0.2616 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7267   -2.2398   -0.6467 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1830   -2.0147   -0.7300 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2193    0.1802   -0.1470 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8245    2.0686    0.4940 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4119    1.8379    0.5730 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