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
    4.0269    0.7014    1.1115 O   0  0  0  0  0  1  0  0  0  0  0  0
    3.6077   -0.6035    0.1052 S   0  0  0  0  0  6  0  0  0  0  0  0
    4.1853   -0.2736   -1.2542 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2310   -1.8653    0.5665 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8509   -0.7472    0.0120 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0865    0.3062    0.0176 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3614    0.2530   -0.0565 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0913   -0.9082   -0.1408 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4654   -0.9302   -0.2100 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1426    0.2664   -0.1942 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4706    1.4621   -0.1113 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0938    1.4341   -0.0441 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
    1.4688   -1.7661   -0.0492 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5755    1.2856    0.0824 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5492   -1.8477   -0.1527 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0355   -1.8579   -0.2767 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2273    0.3277   -0.2455 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0302    2.4024   -0.1002 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5652    2.3609    0.0205 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