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
    3.8692   -0.0526   -1.6640 O   0  0  0  0  0  1  0  0  0  0  0  0
    3.6530   -0.3562   -0.0345 S   0  0  0  0  0  6  0  0  0  0  0  0
    4.2788    0.7186    0.7918 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2407   -1.6961    0.2684 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9373   -0.3714    0.3386 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0394    0.1390   -0.4699 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3791    0.1394   -0.1867 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2602    0.7094   -1.1141 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6151    0.7187   -0.8606 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1582    0.1907    0.2706 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3188   -0.3718    1.1918 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9365   -0.3846    0.9397 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
    1.6309   -0.8165    1.2619 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3963    0.5803   -1.3961 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8625    1.1422   -2.0320 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3242    1.1623   -1.5778 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2148    0.1970    0.4700 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6701   -0.8101    2.1109 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3064   -0.8382    1.6921 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