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
   -3.4846    0.3892    0.5535 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6085   -0.5701    0.6461 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1985   -0.3055    0.4504 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6533    0.9224    0.1603 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7131    1.1108   -0.0163 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5863    0.0647    0.0931 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0583   -1.1634    0.3815 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2894   -1.3717    0.5600 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3007    0.3070   -0.1296 S   0  0  0  0  0  6  0  0  0  0  0  0
    3.7360    1.6615    0.3554 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0705   -0.7131    0.6547 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6703    0.0846   -1.7583 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
   -4.5671    0.2172    0.6977 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2466    1.4157    0.3334 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9217   -1.5749    0.8698 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3132    1.7656    0.0675 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0662    2.1086   -0.2429 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7533   -1.9975    0.4689 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6716   -2.3513    0.7861 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