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
    3.5110   -0.2990    0.3049 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5934    0.6250    0.1631 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1685    0.3585    0.0610 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2617    1.4200   -0.0895 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0831    1.1664   -0.1857 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5831   -0.1138   -0.1391 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6716   -1.1296    0.0086 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7017   -0.9265    0.1107 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3150   -0.4230   -0.2642 S   0  0  0  0  0  6  0  0  0  0  0  0
   -3.5799   -1.7690   -0.8428 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9421    0.6589   -1.1081 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9922   -0.4092    1.2905 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
    4.5723   -0.0363    0.3765 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2625   -1.3282    0.3553 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8795    1.6857    0.1137 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6504    2.4181   -0.1259 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7785    1.9950   -0.3021 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0392   -2.1408    0.0477 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3838   -1.7523    0.2258 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