Monomers

Sodium styrenesulfonate

Identifiers

IUPAC name
sodium;2-phenylethenesulfonate
InchI
InChI=1S/C8H8O3S.Na/c9-12(10,11)7-6-8-4-2-1-3-5-8;/h1-7H,(H,9,10,11);/q;+1/p-1
InchI Key
MNCGMVDMOKPCSQ-UHFFFAOYSA-M
SMILES
[O-]S(=O)(=O)C=Cc1ccccc1.[Na+]
Canonical SMILES
C1=CC=C(C=C1)C=CS(=O)(=O)[O-].[Na+]
Isomeric SMILES
C1=CC=C(C=C1)C=CS(=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
-1.7935
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
    4.0940    0.9255   -1.0700 O   0  0  0  0  0  1  0  0  0  0  0  0
    3.6049   -0.4439   -0.1951 S   0  0  0  0  0  6  0  0  0  0  0  0
    4.2931   -1.6747   -0.6563 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8447   -0.2514    1.2754 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8523   -0.5592   -0.4126 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0871    0.2261    0.2982 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3660    0.1923    0.1775 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1534    1.0551    0.9619 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5254    1.0509    0.8745 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1556    0.1905    0.0065 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3873   -0.6612   -0.7683 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9964   -0.6658   -0.6884 C   0  0  0  0  0  0  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
    1.5302   -1.2894   -1.1363 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5613    0.9155    0.9917 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6443    1.7290    1.6427 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1030    1.7199    1.4848 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2338    0.2261   -0.0246 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8477   -1.3454   -1.4561 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4547   -1.3399   -1.3057 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  2  0
  2  5  1  0
  5  6  2  3
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12  7  1  0
  5 14  1  0
  6 15  1  0
  8 16  1  0
  9 17  1  0
 10 18  1  0
 11 19  1  0
 12 20  1  0
M  CHG  2   1  -1  13   1
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers