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
    2.8382    2.8854   -1.8368 O   0  0  0  0  0  1  0  0  0  0  0  0
    3.1101    1.8678   -0.5469 S   0  0  0  0  0  6  0  0  0  0  0  0
    4.0132    0.7445   -1.0270 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8125    2.6095    0.5624 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6017    1.2368    0.0609 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9717    0.2622   -0.5568 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2893   -0.3177   -0.1129 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9641    0.0965    1.0127 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1603   -0.4872    1.3925 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7422   -1.5072    0.6750 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0754   -1.9312   -0.4552 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8881   -1.3543   -0.8352 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
    1.1725    1.6494    0.9596 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4230   -0.1350   -1.4569 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5608    0.8983    1.6262 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6927   -0.1496    2.2939 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6852   -1.9512    0.9943 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5309   -2.7339   -1.0222 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3540   -1.6831   -1.7275 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