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
    3.4354    0.8131    0.0102 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6314   -0.1660    0.3556 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1902   -0.1262    0.1498 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4167   -1.2197    0.5513 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9363   -1.2410    0.3851 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5879   -0.1717   -0.1907 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8377    0.9096   -0.5897 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5535    0.9400   -0.4227 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3171   -0.1297   -0.4350 S   0  0  0  0  0  6  0  0  0  0  0  0
   -3.9526   -1.0137    0.6192 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7666    1.2906   -0.2636 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7515   -0.7587   -1.9247 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
    4.5171    0.7492    0.1802 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1137    1.7355   -0.4556 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1093   -1.0426    0.8206 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9316   -2.0572    1.0029 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5685   -2.0795    0.6879 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3061    1.7770   -1.0490 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1253    1.7909   -0.7390 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