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
   -3.3808    0.1466   -1.0331 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6275   -0.3269   -0.0678 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1978   -0.1857   -0.0534 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5414    0.4613   -1.0642 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8490    0.5740   -1.0071 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5634    0.0469    0.0445 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9082   -0.6047    1.0634 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4670   -0.7051    0.9878 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3110    0.1756    0.1392 S   0  0  0  0  0  6  0  0  0  0  0  0
    3.8250    0.1858   -1.2675 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8273   -0.9705    0.9323 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7166    1.5878    0.9569 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
   -3.0294    0.6790   -1.8995 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4761    0.0207   -1.0133 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1070   -0.8440    0.7484 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0506    0.8994   -1.9229 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3482    1.0840   -1.8074 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5027   -1.0041    1.8701 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9736   -1.2201    1.7954 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