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
    3.4583    0.7392   -0.1722 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6169   -0.0324    0.4860 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1794   -0.0722    0.2839 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3738   -0.9236    1.0310 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9861   -0.9595    0.8380 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5736   -0.1462   -0.1055 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7677    0.6900   -0.8368 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6199    0.7474   -0.6614 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3137   -0.2146   -0.3291 S   0  0  0  0  0  6  0  0  0  0  0  0
   -3.9184   -0.6863    0.9834 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8520    1.1386   -0.6634 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7443   -1.3538   -1.4823 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
    4.5282    0.7329    0.0155 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1366    1.4293   -0.9428 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0966   -0.6839    1.2432 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8494   -1.5458    1.7573 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6271   -1.6284    1.4236 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2629    1.3236   -1.5782 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1869    1.4458   -1.2903 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