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
    4.3622    1.8241   -0.0261 O   0  0  0  0  0  1  0  0  0  0  0  0
    3.6113    0.3412    0.0967 S   0  0  0  0  0  6  0  0  0  0  0  0
    3.8097   -0.2010    1.4710 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0990   -0.6461   -0.9196 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8612    0.5790   -0.1436 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0509   -0.3500    0.2910 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3857   -0.2304    0.1334 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1985   -1.2715    0.6268 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5597   -1.2100    0.5047 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0964   -0.1122   -0.1075 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3302    0.9200   -0.5993 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9484    0.8641   -0.4788 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
    1.5214    1.4713   -0.6348 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4201   -1.2398    0.7828 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7284   -2.1382    1.1131 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1753   -2.0208    0.8901 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1719   -0.0681   -0.2016 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7727    1.7888   -1.0849 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3686    1.6994   -0.8794 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