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
   -3.5029    0.3664   -0.0016 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6104   -0.6002   -0.0187 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1910   -0.3378   -0.0345 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2875   -1.4097   -0.0524 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0758   -1.2237   -0.0681 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5727    0.0555   -0.0662 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7153    1.1321   -0.0489 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6727    0.9344   -0.0330 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3085    0.3493   -0.0858 S   0  0  0  0  0  6  0  0  0  0  0  0
    3.6584    1.6388    0.5769 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0305   -0.7647    0.6248 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7741    0.4414   -1.7013 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
   -3.2636    1.4184    0.0021 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5791    0.1600    0.0104 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9466   -1.6235   -0.0209 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6431   -2.4257   -0.0544 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7583   -2.0539   -0.0817 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1031    2.1390   -0.0474 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2998    1.8038   -0.0198 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