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
    4.6259   -0.9713    0.5377 O   0  0  0  0  0  1  0  0  0  0  0  0
    3.6262    0.2311   -0.0665 S   0  0  0  0  0  6  0  0  0  0  0  0
    4.1032    0.6184   -1.4471 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8274    1.4668    0.7878 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9735   -0.2880   -0.0726 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0122    0.5287    0.2242 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4071    0.1808    0.2452 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3491    1.1437    0.5798 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6906    0.8614    0.6121 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1391   -0.4166    0.3050 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2447   -1.3919   -0.0291 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9004   -1.0670   -0.0502 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
    1.7377   -1.3056   -0.3267 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2693    1.5643    0.4814 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0126    2.1508    0.8231 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4356    1.6027    0.8713 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1987   -0.6579    0.3256 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5936   -2.4032   -0.2726 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2040   -1.8472   -0.3159 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