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
    3.5595    0.2405    0.1318 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6256   -0.4745   -0.4313 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1860   -0.2664   -0.2327 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2679   -1.0884   -0.8833 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0920   -0.9299   -0.7266 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6184    0.0530    0.0844 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7158    0.8695    0.7309 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6674    0.7135    0.5757 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3499    0.2587    0.2871 S   0  0  0  0  0  6  0  0  0  0  0  0
   -4.0765   -1.0316    0.3265 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5510    0.9283    1.6319 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9727    1.3233   -0.8632 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
    3.3001    1.0465    0.7933 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6096    0.0655   -0.0320 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9645   -1.2827   -1.0962 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6969   -1.8598   -1.5201 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7682   -1.5915   -1.2515 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0843    1.6453    1.3701 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3513    1.3807    1.1052 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