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
    3.4631    0.6639    0.5330 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6515   -0.0949   -0.1658 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2106   -0.0700    0.0428 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5815    0.7311    0.9688 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8095    0.6773    1.0879 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5886   -0.1396    0.3232 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9581   -0.9418   -0.6042 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4088   -0.9058   -0.7390 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3229   -0.1992    0.4795 S   0  0  0  0  0  6  0  0  0  0  0  0
   -3.8858   -1.5357    0.1243 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6881    0.1610    1.8913 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9620    0.9497   -0.5790 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
    3.0652    1.3231    1.2796 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5364    0.5947    0.3240 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0493   -0.7665   -0.9256 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1523    1.3949    1.5980 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2868    1.3068    1.8134 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5416   -1.6104   -1.2368 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9248   -1.5385   -1.4728 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