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
   -3.4743   -0.1984    0.0909 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5875    0.5422   -0.5115 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1688    0.2944   -0.3305 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6673   -0.7102    0.4663 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6969   -0.9446    0.6373 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5446   -0.0993   -0.0484 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0574    0.9106   -0.8496 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2894    1.1236   -1.0037 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2762   -0.3329    0.1176 S   0  0  0  0  0  6  0  0  0  0  0  0
    3.5891   -0.9299    1.4722 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9470    0.9931   -0.0568 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8521   -1.3796   -1.0355 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
   -4.5327   -0.0052   -0.0508 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2179   -1.0085    0.7352 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9002    1.3602   -1.1614 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3121   -1.3757    1.0059 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0838   -1.7334    1.2631 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7581    1.5555   -1.3733 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6549    1.9382   -1.6503 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