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
   -2.8565    1.5474   -0.7726 O   0  0  0  0  0  1  0  0  0  0  0  0
   -2.9841    0.2477    0.2768 S   0  0  0  0  0  6  0  0  0  0  0  0
   -2.7309    0.6836    1.6985 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4818   -0.1122    0.2356 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0699   -1.1366   -0.1880 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8063   -1.3142   -0.3231 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3303   -0.4541   -0.1465 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3385    0.8505    0.2360 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5021    1.6234    0.3848 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7154    1.0326    0.1300 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7535   -0.2818   -0.2584 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5988   -1.0089   -0.3944 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
   -2.6782   -2.0745   -0.4219 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5623   -2.3815   -0.6512 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5938    1.3312    0.4399 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4348    2.6618    0.6941 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6597    1.5758    0.2261 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7332   -0.7428   -0.4594 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6974   -2.0476   -0.7059 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