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
    4.5313    1.1112   -0.0266 O   0  0  0  0  0  1  0  0  0  0  0  0
    2.8719    0.8089    0.3855 S   0  0  0  0  0  6  0  0  0  0  0  0
    2.8788   -0.0055    1.6534 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3529    2.1824    0.6928 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1300    0.0711   -0.9575 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9227   -0.3002   -1.1864 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3185   -0.2755   -0.4622 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4178    0.2287    0.8035 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6415    0.2457    1.4942 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7711   -0.2527    0.8952 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6807   -0.7634   -0.3810 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4925   -0.7897   -1.0755 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
    2.8395   -0.1410   -1.8348 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7732   -0.7791   -2.2354 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4234    0.6259    1.3155 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6804    0.6498    2.4869 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7364   -0.2693    1.3678 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5478   -1.1542   -0.8605 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4371   -1.1930   -2.0749 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