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
   -4.1033    0.7254   -0.7306 O   0  0  0  0  0  1  0  0  0  0  0  0
   -3.5633   -0.5083    0.2779 S   0  0  0  0  0  6  0  0  0  0  0  0
   -3.7661   -0.0963    1.7115 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3062   -1.7798    0.0668 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8173   -0.7361    0.0830 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0782    0.3388    0.1431 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3596    0.2785   -0.0019 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9904   -0.9212   -0.2084 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3790   -0.9521   -0.3451 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1193    0.1956   -0.2762 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4617    1.3864   -0.0682 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1060    1.4670    0.0714 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
   -1.4114   -1.7113   -0.0746 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5346    1.3138    0.3055 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4720   -1.8740   -0.2748 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8635   -1.9115   -0.5083 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2019    0.1328   -0.3875 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0657    2.2892   -0.0161 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5614    2.3632    0.2327 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