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
    3.5108    0.5554   -0.4076 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6593   -0.2185    0.2394 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2194   -0.1493    0.0581 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3799   -0.9904    0.7685 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9837   -0.9626    0.6318 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5868   -0.0657   -0.2478 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7850    0.7816   -0.9670 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5979    0.7307   -0.8073 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3214   -0.0558   -0.3980 S   0  0  0  0  0  6  0  0  0  0  0  0
   -3.9139   -1.4191   -0.1809 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6689    0.4164   -1.7891 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0537    0.9938    0.6757 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
    3.2016    1.2992   -1.1214 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5792    0.4711   -0.2426 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0370   -0.9452    0.9428 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8226   -1.6947    1.4567 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6227   -1.6280    1.1959 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2699    1.4711   -1.6449 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1984    1.4099   -1.3872 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