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
    4.1723   -1.5723   -0.0061 O   0  0  0  0  0  1  0  0  0  0  0  0
    3.6283    0.0286    0.0566 S   0  0  0  0  0  6  0  0  0  0  0  0
    4.4205    0.8144    1.0576 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7435    0.6904   -1.2861 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9142    0.0385    0.4869 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0270   -0.0071   -0.4570 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4114   -0.0051   -0.2425 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2932   -0.0561   -1.3125 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6395   -0.0529   -1.0814 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1469   -0.0001    0.1950 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2616    0.0496    1.2355 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8846    0.0484    1.0457 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
    1.6836    0.0824    1.5246 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3567   -0.0511   -1.5104 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8772   -0.0978   -2.3231 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3533   -0.0920   -1.8957 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2204    0.0007    0.3405 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6357    0.0920    2.2558 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2222    0.0896    1.9167 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