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
    2.8383    0.8974   -1.4800 O   0  0  0  0  0  1  0  0  0  0  0  0
    2.9399   -0.4857   -0.5547 S   0  0  0  0  0  6  0  0  0  0  0  0
    2.4584   -1.7185   -1.2916 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4658   -0.6891   -0.3257 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1374   -0.3341    0.9563 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9211   -0.1344    1.2645 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2973    0.0494    0.5136 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5069    0.2557    1.1851 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7137    0.4395    0.5700 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7659    0.4243   -0.8062 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6150    0.2269   -1.5091 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3915    0.0412   -0.8504 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
    2.8314   -0.4321    1.8524 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7510   -0.0899    2.3943 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4810    0.2704    2.2811 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6279    0.5964    1.1341 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7315    0.5715   -1.2895 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6754    0.2181   -2.5873 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4627   -0.1072   -1.4568 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