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
    3.4897    0.6557   -0.0211 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6451   -0.2773   -0.4044 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2102   -0.1866   -0.2946 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5597    0.9022    0.2309 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8372    0.9798    0.3329 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5897   -0.0780   -0.1116 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9560   -1.1742   -0.6397 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4203   -1.2486   -0.7392 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3293   -0.0413   -0.0119 S   0  0  0  0  0  6  0  0  0  0  0  0
   -3.6984    0.8485    1.1427 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8797   -1.4387    0.1661 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9533    0.6310   -1.4364 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
    4.5714    0.5224   -0.1333 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0873    1.5585    0.4080 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0952   -1.1850   -0.8379 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1248    1.7651    0.5958 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3220    1.8582    0.7550 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5754   -1.9922   -0.9816 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9375   -2.0996   -1.1504 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