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
   -3.3114    0.8223   -0.9508 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4444    1.1024   -0.0217 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1056    0.5536    0.0657 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6495   -0.3380   -0.8716 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6374   -0.8726   -0.7973 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4929   -0.5213    0.2219 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0405    0.3720    1.1638 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2460    0.8998    1.0805 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1229   -1.1875    0.3310 S   0  0  0  0  0  6  0  0  0  0  0  0
    3.6308   -1.3840   -1.0720 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0009   -0.1331    0.9866 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1469   -2.5865    1.2209 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
   -3.1324    0.1443   -1.7693 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2854    1.2828   -0.9303 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7383    1.8080    0.7626 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2812   -0.6368   -1.6783 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0042   -1.5805   -1.5386 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7064    0.6487    1.9617 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5886    1.6065    1.8354 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