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
    3.4117    0.7093    0.2447 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6458   -0.2504   -0.2104 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1956   -0.1775   -0.2474 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5341    0.9385    0.2082 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8500    0.9308    0.1393 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5492   -0.1249   -0.3545 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9027   -1.2304   -0.8062 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4693   -1.2628   -0.7553 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3104    0.0161   -0.3764 S   0  0  0  0  0  6  0  0  0  0  0  0
   -3.7826   -0.8567   -1.5289 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7439    1.4091   -0.6868 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9567   -0.5648    1.0539 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
    3.0120    1.6259    0.6257 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4878    0.5903    0.2437 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1224   -1.1721   -0.5901 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0481    1.8169    0.6159 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3525    1.8154    0.5015 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4804   -2.0584   -1.1949 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0014   -2.1544   -1.1192 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