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
    4.5469   -0.9372   -0.9539 O   0  0  0  0  0  1  0  0  0  0  0  0
    3.6289    0.0195    0.0996 S   0  0  0  0  0  6  0  0  0  0  0  0
    3.7999    1.4305   -0.3138 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1476   -0.2548    1.4911 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9405   -0.4628    0.0224 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0291    0.4677    0.0288 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4013    0.2300   -0.0296 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2854    1.2873   -0.0172 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6477    1.0609   -0.0728 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1687   -0.2138   -0.1420 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2966   -1.2679   -0.1547 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9120   -1.0446   -0.0985 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
    1.6893   -1.5344   -0.0293 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3646    1.5140    0.0824 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8845    2.3117    0.0378 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3318    1.9071   -0.0621 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2621   -0.3370   -0.1843 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6793   -2.2787   -0.2086 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2774   -1.8975   -0.1112 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