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
    3.9335    1.3591   -0.6023 O   0  0  0  0  0  1  0  0  0  0  0  0
    3.6294   -0.2511   -0.1882 S   0  0  0  0  0  6  0  0  0  0  0  0
    4.4501   -0.5540    1.0282 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1078   -1.1849   -1.2802 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9261   -0.5189    0.0739 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0174    0.4288   -0.0627 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3875    0.2129    0.1522 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2564    1.2857   -0.0207 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6000    1.1622    0.1638 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1607   -0.0299    0.5299 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3369   -1.1067    0.7090 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9552   -0.9741    0.5178 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
    1.6423   -1.5212    0.3604 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4026    1.4104   -0.3555 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8391    2.2574   -0.3146 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2144    2.0418    0.0108 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2341   -0.1413    0.6805 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7863   -2.0471    0.9986 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3385   -1.8291    0.6643 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