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
   -4.0583    0.5165   -0.9945 O   0  0  0  0  0  1  0  0  0  0  0  0
   -3.5201    0.9279    0.5378 S   0  0  0  0  0  6  0  0  0  0  0  0
   -4.1685    0.0876    1.5874 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9110    2.3712    0.7817 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7689    0.8054    0.5821 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1140   -0.1136   -0.0887 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3298   -0.2663   -0.0930 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9317   -1.2834   -0.8454 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2830   -1.4863   -0.8965 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0956   -0.6352   -0.1611 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5642    0.3827    0.5977 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1737    0.5503    0.6178 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
   -1.2295    1.5176    1.1863 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7105   -0.8063   -0.6821 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2709   -1.9310   -1.4085 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7443   -2.2801   -1.4845 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1651   -0.7591   -0.1726 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1753    1.0551    1.1763 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7471    1.3471    1.2110 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