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
   -3.1009   -0.3792   -1.6483 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6601   -0.1345   -0.4515 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2386   -0.0574   -0.1642 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2343   -0.2285   -1.0923 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1095   -0.1483   -0.7840 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5055    0.1150    0.5083 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5242    0.2950    1.4797 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8030    0.2092    1.1423 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1859    0.2268    0.9517 S   0  0  0  0  0  6  0  0  0  0  0  0
    3.3977   -0.2322    2.3856 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0536   -0.6572    0.0963 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6887    1.8132    0.7808 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
   -2.4757   -0.5400   -2.4991 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1663   -0.4289   -1.8233 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3513    0.0180    0.3622 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5478   -0.4385   -2.1234 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8761   -0.2853   -1.5245 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8301    0.5039    2.5057 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5933    0.3488    1.8979 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