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
    3.4862    0.2764    0.2344 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6195   -0.5383   -0.2888 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1949   -0.3132   -0.1695 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6674    0.7669    0.4986 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7185    0.9274    0.5782 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6025    0.0445    0.0122 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0472   -1.0238   -0.6480 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2969   -1.2297   -0.7567 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3205    0.3266    0.1630 S   0  0  0  0  0  6  0  0  0  0  0  0
   -3.6000    1.0898    1.4358 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0830   -0.9617    0.2557 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8503    1.2599   -1.1346 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
    3.1995    1.1438    0.7731 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5694    0.1206    0.1532 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9661   -1.4053   -0.8264 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3153    1.5182    0.9786 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0827    1.8083    1.1241 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7481   -1.7315   -1.1015 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7374   -2.0787   -1.2814 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