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
    4.0909    1.2867   -0.1874 O   0  0  0  0  0  1  0  0  0  0  0  0
    3.6002   -0.3243   -0.1253 S   0  0  0  0  0  6  0  0  0  0  0  0
    4.4433   -1.0838   -1.0919 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8927   -0.8797    1.2542 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9043   -0.4620   -0.5100 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0233    0.1856    0.2399 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4135    0.1617    0.0364 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9168   -0.5798   -1.0032 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3064   -0.5863   -1.1779 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1277    0.1365   -0.3213 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6053    0.8755    0.7172 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2386    0.8755    0.8807 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
    1.6454   -1.0757   -1.3514 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3850    0.7940    1.0865 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3223   -1.1588   -1.6968 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7152   -1.1748   -2.0041 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2103    0.1267   -0.4636 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2818    1.4159    1.3502 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8473    1.4670    1.7088 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