Monomers

Sodium 4-vinylbenzenesulfonate

Identifiers

IUPAC name
sodium;4-ethenylbenzenesulfonate
InchI
InChI=1S/C8H8O3S.Na/c1-2-7-3-5-8(6-4-7)12(9,10)11;/h2-6H,1H2,(H,9,10,11);/q;+1/p-1
InchI Key
XFTALRAZSCGSKN-UHFFFAOYSA-M
SMILES
C=Cc1ccc(cc1)S(=O)(=O)[O-].[Na+]
Canonical SMILES
C=CC1=CC=C(C=C1)S(=O)(=O)[O-].[Na+]
Isomeric SMILES
C=CC1=CC=C(C=C1)S(=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
-1.7623
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
   -3.3988    0.6528   -0.1380 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6587   -0.3721    0.1216 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2065   -0.2717    0.1628 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5913    0.9191   -0.0744 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7902    1.0156   -0.0354 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5571   -0.0915    0.2437 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9474   -1.3066    0.4865 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4201   -1.3821    0.4435 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2976    0.1150    0.2739 S   0  0  0  0  0  6  0  0  0  0  0  0
    3.6436    1.5515    0.6304 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9256   -0.7928    1.2998 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9350   -0.1589   -1.2568 O   0  0  0  0  0  1  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
   -3.0399    1.6308   -0.3391 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4813    0.5053   -0.1526 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0663   -1.3694    0.3248 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1308    1.8461   -0.3036 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2704    1.9932   -0.2313 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5564   -2.1513    0.7005 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9295   -2.3331    0.6322 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  6  9  1  0
  9 10  2  0
  9 11  2  0
  9 12  1  0
  8  3  1  0
  1 14  1  0
  1 15  1  0
  2 16  1  0
  4 17  1  0
  5 18  1  0
  7 19  1  0
  8 20  1  0
M  CHG  2  12  -1  13   1
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers