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
   -3.4274    0.5983   -0.4028 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6656   -0.3188    0.1156 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2204   -0.1977    0.1482 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4588   -1.2284    0.7244 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9047   -1.1156    0.7559 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5861   -0.0345    0.2484 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8565    0.9782   -0.3165 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5349    0.8845   -0.3596 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3267    0.0417    0.3233 S   0  0  0  0  0  6  0  0  0  0  0  0
    3.7805    1.4664    0.4623 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7582   -0.7219    1.5467 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9575   -0.6612   -1.0761 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
   -3.0165    1.4849   -0.8289 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4982    0.4721   -0.4083 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1068   -1.2191    0.5467 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9788   -2.1009    1.1359 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4873   -1.9132    1.2013 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3140    1.8697   -0.7418 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0642    1.7157   -0.8186 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