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
    2.5800    1.7713   -1.0379 O   0  0  0  0  0  1  0  0  0  0  0  0
    2.9722    0.6442    0.1385 S   0  0  0  0  0  6  0  0  0  0  0  0
    4.5064    0.4512    0.0119 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7054    1.1395    1.5371 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1828   -0.8422   -0.2155 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9435   -1.1810   -0.2854 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2969   -0.4970   -0.1058 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4897   -1.2240   -0.2769 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7444   -0.6859   -0.1323 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8237    0.6489    0.2010 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6751    1.3918    0.3764 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4076    0.8271    0.2251 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
    2.9401   -1.6776   -0.4258 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8097   -2.2839   -0.5527 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4875   -2.2820   -0.5406 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6484   -1.2575   -0.2671 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7852    1.1250    0.3276 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7144    2.4556    0.6418 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4326    1.4763    0.3806 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