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
    4.0735    1.6395   -1.0561 O   0  0  0  0  0  1  0  0  0  0  0  0
    3.6281    0.1879   -0.3533 S   0  0  0  0  0  6  0  0  0  0  0  0
    4.4597   -0.0420    0.8993 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8065   -0.9724   -1.2915 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9184    0.2272    0.1013 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0283   -0.0922   -0.7896 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4124   -0.0924   -0.5168 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9343    0.2485    0.7127 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2772    0.2537    0.9849 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1375   -0.1008   -0.0277 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6224   -0.4476   -1.2759 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2765   -0.4519   -1.5453 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
    1.6801    0.5141    1.0981 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3522   -0.3774   -1.7970 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2652    0.5360    1.5396 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6394    0.5261    1.9572 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1837   -0.1017    0.1676 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2992   -0.7276   -2.0759 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8991   -0.7270   -2.5294 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