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
    4.1938    0.8784    0.8972 O   0  0  0  0  0  1  0  0  0  0  0  0
    3.6272   -0.3758   -0.0906 S   0  0  0  0  0  6  0  0  0  0  0  0
    3.8324    0.0806   -1.5232 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4214   -1.6132    0.1732 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9224   -0.6257    0.1241 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0748    0.3153   -0.1988 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3736    0.1962   -0.0541 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1758    1.2524   -0.4264 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5475    1.2485   -0.3333 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1743    0.1242    0.1621 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3985   -0.9418    0.5402 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0096   -0.9155    0.4368 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
    1.5571   -1.5524    0.5222 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4811    1.2492   -0.6025 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7188    2.1514   -0.8195 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1822    2.0739   -0.6237 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2524    0.0618    0.2592 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8417   -1.8383    0.9313 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4359   -1.7693    0.7428 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