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
    3.4428   -0.4120    0.5540 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6167   -0.2397   -0.4482 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1779   -0.1053   -0.3223 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5641   -0.1516    0.9025 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8117   -0.0220    1.0114 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5702    0.1549   -0.1188 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9469    0.2000   -1.3409 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4122    0.0739   -1.4703 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3303    0.3251   -0.0289 S   0  0  0  0  0  6  0  0  0  0  0  0
   -3.8286   -0.4533    1.1548 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8668   -0.2331   -1.3238 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7645    1.9355    0.1387 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
    4.5069   -0.5037    0.3737 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1410   -0.4744    1.6057 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0484   -0.1957   -1.4400 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1560   -0.2921    1.8132 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3102   -0.0553    1.9580 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5382    0.3395   -2.2413 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9014    0.1095   -2.4317 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