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
   -4.1092    0.2109   -2.0708 O   0  0  0  0  0  1  0  0  0  0  0  0
   -3.5636    0.6381   -0.5551 S   0  0  0  0  0  6  0  0  0  0  0  0
   -4.0128   -0.4254    0.4334 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0412    1.9904   -0.1239 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7940    0.7091   -0.5734 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0938   -0.2644   -0.0451 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3560   -0.2803   -0.0204 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0454   -1.3518    0.5601 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4163   -1.3773    0.5891 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0979   -0.3204    0.0315 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4384    0.7485   -0.5474 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0469    0.7729   -0.5759 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
   -1.3901    1.5886   -1.0391 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6123   -1.1094    0.4010 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4945   -2.1819    0.9979 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9605   -2.2091    1.0398 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1761   -0.3496    0.0591 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9828    1.5741   -0.9828 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6020    1.6371   -1.0429 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