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
    3.4863    0.5986   -0.2934 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6615   -0.3951   -0.1584 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2229   -0.2218   -0.0742 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5988    0.9999   -0.1287 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7963    1.0770   -0.0397 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5900   -0.0327    0.1025 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9753   -1.2607    0.1581 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3930   -1.3417    0.0713 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3308    0.0658    0.2132 S   0  0  0  0  0  6  0  0  0  0  0  0
   -3.8593    1.2710   -0.5325 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9961   -1.1482   -0.3747 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8318    0.2242    1.8141 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
    3.1177    1.6090   -0.3486 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5682    0.4814   -0.3578 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0793   -1.3920   -0.1077 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1638    1.9173   -0.2400 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2819    2.0460   -0.0836 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5339   -2.2014    0.2709 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9039   -2.2966    0.1124 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