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
    4.3335    0.4200   -1.3443 O   0  0  0  0  0  1  0  0  0  0  0  0
    3.5673    0.7914    0.1150 S   0  0  0  0  0  6  0  0  0  0  0  0
    3.9774   -0.2312    1.1352 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0085    2.1640    0.5444 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8307    0.8110   -0.0671 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1159   -0.2387    0.1996 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3449   -0.3015    0.0720 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1023    0.7680   -0.3501 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4774    0.6998   -0.4673 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1483   -0.4507   -0.1637 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4120   -1.5382    0.2621 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0407   -1.4588    0.3753 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
    1.3779    1.7275   -0.4090 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6159   -1.1439    0.5426 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6331    1.7042   -0.6049 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0656    1.5640   -0.8059 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2344   -0.4969   -0.2587 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9259   -2.4732    0.5120 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4425   -2.3167    0.7129 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