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
    3.4554    0.5510   -0.7262 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6535    0.4188    0.2987 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2224    0.1971    0.1846 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4383    0.0669    1.3440 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9180   -0.1435    1.2815 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5810   -0.2380    0.0763 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8380   -0.1142   -1.0755 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5410    0.0997   -1.0017 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3187   -0.5078    0.0289 S   0  0  0  0  0  6  0  0  0  0  0  0
   -3.9406    0.1335   -1.1792 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8882    0.0655    1.3046 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7002   -2.1272    0.0010 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
    3.0542    0.4960   -1.7272 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5316    0.7174   -0.5996 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0958    0.4803    1.2937 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9329    0.1370    2.2935 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5409   -0.2467    2.1664 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3093   -0.1806   -2.0288 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1097    0.1948   -1.9349 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