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
    3.9412    1.7404    1.9551 O   0  0  0  0  0  1  0  0  0  0  0  0
    3.5001    0.4299    0.9921 S   0  0  0  0  0  6  0  0  0  0  0  0
    4.3616    0.4844   -0.2379 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7143   -0.8062    1.7899 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8212    0.6242    0.5234 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0169   -0.3776    0.3354 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3835   -0.3130   -0.0523 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1371   -1.4802   -0.2209 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4552   -1.3799   -0.5871 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0502   -0.1584   -0.7915 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3223    0.9978   -0.6297 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9760    0.9165   -0.2564 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
    1.4661    1.6297    0.3922 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4265   -1.3914    0.4819 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6296   -2.4066   -0.0503 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0415   -2.3064   -0.7176 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0857   -0.0426   -1.0805 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7362    1.9870   -0.7766 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4306    1.8523   -0.1374 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