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
   -3.5065    0.2594    0.6212 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6278   -0.5354    0.0483 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1984   -0.2924   -0.0098 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3421   -1.2012   -0.6445 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0144   -1.0012   -0.7170 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5947    0.1184   -0.1597 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7782    1.0204    0.4657 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6071    0.8191    0.5414 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3365    0.3412   -0.2722 S   0  0  0  0  0  6  0  0  0  0  0  0
    3.7842   -0.3954   -1.5258 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6725    1.8059   -0.3910 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0543   -0.3674    1.0577 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
   -3.1938    1.1594    1.0905 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5687    0.0419    0.6433 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0183   -1.4451   -0.4158 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8087   -2.0766   -1.0786 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6790   -1.7034   -1.2079 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1885    1.9047    0.9125 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2309    1.5478    1.0418 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