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
   -3.3318    1.1462    0.2882 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6485    0.1694   -0.2385 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2173    0.0149   -0.0371 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5407   -1.0604   -0.6333 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8150   -1.2369   -0.4634 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5398   -0.3531    0.3021 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9228    0.7137    0.9051 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4486    0.8696    0.7177 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2723   -0.5366    0.5482 S   0  0  0  0  0  6  0  0  0  0  0  0
    3.6850   -1.9704    0.4196 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6189    0.0403    1.8912 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0326    0.3173   -0.6951 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
   -2.8802    1.8992    0.9047 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3918    1.2118    0.1055 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1679   -0.5573   -0.8514 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1325   -1.7514   -1.2372 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3364   -2.0808   -0.9333 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4548    1.4371    1.5185 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9183    1.7274    1.2082 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