Monomers

Sodium 4-vinylbenzenesulfonate

Identifiers

IUPAC name
sodium;4-ethenylbenzenesulfonate
InchI
InChI=1S/C8H8O3S.Na/c1-2-7-3-5-8(6-4-7)12(9,10)11;/h2-6H,1H2,(H,9,10,11);/q;+1/p-1
InchI Key
XFTALRAZSCGSKN-UHFFFAOYSA-M
SMILES
C=Cc1ccc(cc1)S(=O)(=O)[O-].[Na+]
Canonical SMILES
C=CC1=CC=C(C=C1)S(=O)(=O)[O-].[Na+]
Isomeric SMILES
C=CC1=CC=C(C=C1)S(=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
-1.7623
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
   -3.4589    0.6745   -0.4140 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6373   -0.3266   -0.5797 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2130   -0.2102   -0.3301 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3772   -1.3163   -0.5241 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9790   -1.2407   -0.2967 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5755   -0.0867    0.1283 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7897    1.0237    0.3311 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5823    0.9340    0.0972 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2888    0.0178    0.4182 S   0  0  0  0  0  6  0  0  0  0  0  0
    3.7715    1.4158    0.1716 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0584   -0.8922   -0.4882 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6835   -0.3748    2.0075 O   0  0  0  0  0  1  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
   -3.1201    1.6414   -0.0825 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5172    0.5560   -0.6088 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0327   -1.2705   -0.9132 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8616   -2.2254   -0.8611 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5903   -2.1096   -0.4560 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2344    1.9603    0.6701 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1708    1.8295    0.2677 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  6  9  1  0
  9 10  2  0
  9 11  2  0
  9 12  1  0
  8  3  1  0
  1 14  1  0
  1 15  1  0
  2 16  1  0
  4 17  1  0
  5 18  1  0
  7 19  1  0
  8 20  1  0
M  CHG  2  12  -1  13   1
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers