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
    4.2038   -0.9768   -1.7145 O   0  0  0  0  0  1  0  0  0  0  0  0
    3.6257   -0.0613   -0.4228 S   0  0  0  0  0  6  0  0  0  0  0  0
    4.3910   -0.5291    0.7994 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8458    1.3741   -0.7095 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9399   -0.4314   -0.1242 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0187    0.4868   -0.2265 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3891    0.2309    0.0102 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9097   -0.9914    0.3649 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2753   -1.2029    0.5858 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1412   -0.1512    0.4449 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6721    1.0958    0.0908 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3217    1.2668   -0.1186 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
    1.7170   -1.4482    0.1446 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3088    1.4906   -0.5007 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2207   -1.8115    0.4730 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5797   -2.2099    0.8624 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1944   -0.3256    0.6179 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3630    1.9371   -0.0221 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9839    2.2573   -0.3956 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