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
    3.8575   -0.4213   -1.5935 O   0  0  0  0  0  1  0  0  0  0  0  0
    3.6144    0.1271   -0.0074 S   0  0  0  0  0  6  0  0  0  0  0  0
    4.3557    1.4252    0.2252 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1581   -0.8837    0.9428 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9031    0.3695    0.2051 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0204   -0.3449   -0.4497 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4064   -0.1903   -0.3158 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2303   -1.0211   -1.0763 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5851   -0.8471   -0.9244 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1298    0.0913   -0.0725 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3182    0.9137    0.6803 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9390    0.7463    0.5345 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
    1.6047    1.1325    0.8984 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4269   -1.1047   -1.1396 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8099   -1.7593   -1.7465 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2383   -1.5015   -1.5234 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2201    0.2001    0.0215 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7141    1.6580    1.3561 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3495    1.4103    1.1420 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