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
    3.8339    0.0647   -1.5529 O   0  0  0  0  0  1  0  0  0  0  0  0
    3.6522   -0.2554    0.1038 S   0  0  0  0  0  6  0  0  0  0  0  0
    4.2826    0.8778    0.8405 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3763   -1.5157    0.4370 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9318   -0.3722    0.3994 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0416    0.2113   -0.3699 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3809    0.1469   -0.1717 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9631   -0.5509    0.8710 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3390   -0.5898    1.0292 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1611    0.0730    0.1415 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6067    0.7806   -0.9131 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2509    0.7880   -1.0249 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
    1.6315   -0.9645    1.2700 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4269    0.7800   -1.2132 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3769   -1.0759    1.5791 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8235   -1.1266    1.8342 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2285    0.0619    0.2369 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2180    1.3158   -1.6339 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8284    1.3512   -1.8629 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