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
    3.8812    0.8721    1.3154 O   0  0  0  0  0  1  0  0  0  0  0  0
    3.5958   -0.4666    0.3368 S   0  0  0  0  0  6  0  0  0  0  0  0
    4.3928   -0.2718   -0.9173 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0958   -1.6880    1.0440 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8919   -0.6487   -0.0063 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0674    0.3159    0.2847 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3705    0.2592    0.0373 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2181    1.2959    0.3561 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5626    1.2892    0.1449 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1333    0.1709   -0.4291 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3289   -0.8997   -0.7693 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9569   -0.8506   -0.5354 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
    1.5866   -1.5702   -0.4537 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4337    1.2367    0.7412 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7582    2.1703    0.8070 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2178    2.1114    0.4003 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2145    0.1613   -0.6008 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7833   -1.7730   -1.2189 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4011   -1.7145   -0.8243 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