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
    3.9429   -1.0638    0.4319 O   0  0  0  0  0  1  0  0  0  0  0  0
    3.5958    0.3842   -0.3266 S   0  0  0  0  0  6  0  0  0  0  0  0
    3.9108    0.3538   -1.7957 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3666    1.4595    0.3533 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8481    0.6564   -0.1413 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0519   -0.3283   -0.4848 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3827   -0.2478   -0.3879 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1586   -1.3543   -0.7793 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5111   -1.2543   -0.6787 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1255   -0.0922   -0.2021 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3570    0.9718    0.1732 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9796    0.8928    0.0795 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
    1.5403    1.6022    0.2377 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4723   -1.2719   -0.8682 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6726   -2.2629   -1.1522 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1673   -2.0578   -0.9586 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1978   -0.0059   -0.1197 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7836    1.8837    0.5447 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3929    1.7347    0.3775 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